# generated using pymatgen
data_Ca7TaCr2N9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06257085
_cell_length_b   9.96492393
_cell_length_c   8.98893178
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.98631950
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7TaCr2N9
_chemical_formula_sum   'Ca14 Ta2 Cr4 N18'
_cell_volume   542.72254977
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.06757432  0.41908125  0.17276401  1.0
  Ca  Ca1  1  0.93242568  0.91908025  0.82723599  1.0
  Ca  Ca2  1  0.93242568  0.58091975  0.82723599  1.0
  Ca  Ca3  1  0.06757432  0.08091975  0.17276401  1.0
  Ca  Ca4  1  0.24747362  0.91884013  0.50752909  1.0
  Ca  Ca5  1  0.75252638  0.41884013  0.49247091  1.0
  Ca  Ca6  1  0.75252638  0.08115987  0.49247091  1.0
  Ca  Ca7  1  0.24747362  0.58115987  0.50752909  1.0
  Ca  Ca8  1  0.57401111  0.93189665  0.16146605  1.0
  Ca  Ca9  1  0.42598889  0.43189665  0.83853395  1.0
  Ca  Ca10  1  0.42598889  0.06810335  0.83853395  1.0
  Ca  Ca11  1  0.57401111  0.56810335  0.16146605  1.0
  Ca  Ca12  1  0.91104247  0.25000000  0.79836144  1.0
  Ca  Ca13  1  0.08895753  0.75000000  0.20163856  1.0
  Ta  Ta14  1  0.28025335  0.25000000  0.55833208  1.0
  Ta  Ta15  1  0.71974665  0.75000000  0.44166792  1.0
  Cr  Cr16  1  0.46154928  0.25000000  0.27415852  1.0
  Cr  Cr17  1  0.53845072  0.75000000  0.72584148  1.0
  Cr  Cr18  1  0.67497651  0.25000000  0.06614367  1.0
  Cr  Cr19  1  0.32502349  0.75000000  0.93385633  1.0
  N  N20  1  0.11595222  0.40052497  0.65631861  1.0
  N  N21  1  0.88404778  0.90052497  0.34368139  1.0
  N  N22  1  0.88404778  0.59947503  0.34368139  1.0
  N  N23  1  0.11595222  0.09947503  0.65631861  1.0
  N  N24  1  0.23173799  0.90259005  0.01764179  1.0
  N  N25  1  0.76826201  0.40259005  0.98235821  1.0
  N  N26  1  0.76826201  0.09740995  0.98235821  1.0
  N  N27  1  0.23173799  0.59740995  0.01764179  1.0
  N  N28  1  0.36435191  0.39233601  0.37224970  1.0
  N  N29  1  0.63564809  0.89233601  0.62775030  1.0
  N  N30  1  0.63564809  0.60766399  0.62775030  1.0
  N  N31  1  0.36435191  0.10766399  0.37224970  1.0
  N  N32  1  0.36587080  0.25000000  0.06968765  1.0
  N  N33  1  0.63412920  0.75000000  0.93031235  1.0
  N  N34  1  0.55481028  0.25000000  0.66663576  1.0
  N  N35  1  0.44518972  0.75000000  0.33336424  1.0
  N  N36  1  0.77152338  0.25000000  0.26834075  1.0
  N  N37  1  0.22847662  0.75000000  0.73165925  1.0