# generated using pymatgen
data_Ca6Re2AsN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26939329
_cell_length_b   6.26939341
_cell_length_c   6.26939397
_cell_angle_alpha   95.22238655
_cell_angle_beta   95.22238506
_cell_angle_gamma   95.22238871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Re2AsN6
_chemical_formula_sum   'Ca6 Re2 As1 N6'
_cell_volume   243.15047376
_cell_formula_units_Z   1
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  0.61432585  0.11357103  0.79484743  1.0
  Ca  Ca1  1  0.11357103  0.79484743  0.61432585  1.0
  Ca  Ca2  1  0.79484743  0.61432585  0.11357103  1.0
  Ca  Ca3  1  0.38567415  0.88642897  0.20515257  1.0
  Ca  Ca4  1  0.88642897  0.20515257  0.38567415  1.0
  Ca  Ca5  1  0.20515257  0.38567415  0.88642897  1.0
  Re  Re6  1  0.62338839  0.62338839  0.62338839  1.0
  Re  Re7  1  0.37661161  0.37661161  0.37661161  1.0
  As  As8  1  0.00000000  0.00000000  0.00000000  1.0
  N  N9  1  0.71834399  0.84930893  0.46734173  1.0
  N  N10  1  0.84930893  0.46734173  0.71834399  1.0
  N  N11  1  0.46734173  0.71834399  0.84930893  1.0
  N  N12  1  0.28165601  0.15069107  0.53265827  1.0
  N  N13  1  0.15069107  0.53265827  0.28165601  1.0
  N  N14  1  0.53265827  0.28165601  0.15069107  1.0