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<atp -- Atoms Template File>
<com> This file is part of the Atoms distribution.
<com> Atoms is copyright (c) Bruce Ravel 1998-2006.
<com> This is the atoms template file for a Powder output file
<com> Homepage: http://cars9.uchicago.edu/~ravel/software/
<com>
<meta :precision 9.5 :file "powder simulation" :list powder>
<meta :output "powder.dat">
<id :prefix "# ">
#
<titles :prefix "# Title: ">
<resource :prefix "# Anomalous scattering data resource: ">
# Calculated for photon energy <energy> eV
# wavelength <lambda> angstroms
#
# Crystal Data:
# space = <given>
<com> # <space> in setting <setting>
# a = <a> b = <b> c = <c>
# alpha = <alpha> beta = <beta> gamma = <gamma>
# atoms
# ! elem x y z tag occupancy B
<list :style atoms>
# <elem> <x> <y> <z> <tag> <occ> <b>
#
# ---------------------------------------------------------------------
# 2theta h k l intensity
<com> valid columns are <tth> <th> <a> <asqr> <r> <i> <p> <mult> <lp> <h> <k> <l> <inc>
<meta :precision 7.3>
<powder>
<tth> <h> <k> <l> <asqr>
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