# generated using pymatgen
data_CaAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19091784
_cell_length_b   4.19091618
_cell_length_c   22.21793092
_cell_angle_alpha   95.41183778
_cell_angle_beta   95.41183538
_cell_angle_gamma   89.99999922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAsPt
_chemical_formula_sum   'Ca6 As6 Pt6'
_cell_volume   386.74423914
_cell_formula_units_Z   6
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  0.99951542  0.99951542  0.99902984  1.0
  Ca  Ca1  1  0.74951542  0.24951542  0.49902984  1.0
  Ca  Ca2  1  0.16579419  0.16579419  0.33158837  1.0
  Ca  Ca3  1  0.91579419  0.41579419  0.83158837  1.0
  Ca  Ca4  1  0.83283903  0.83283903  0.66567806  1.0
  Ca  Ca5  1  0.58283903  0.08283903  0.16567806  1.0
  As  As6  1  0.69362255  0.69362255  0.38724409  1.0
  As  As7  1  0.27713611  0.77713611  0.55427122  1.0
  As  As8  1  0.52713611  0.52713611  0.05427122  1.0
  As  As9  1  0.44362255  0.94362255  0.88724409  1.0
  As  As10  1  0.11007048  0.61007048  0.22014296  1.0
  As  As11  1  0.36007048  0.36007048  0.72014296  1.0
  Pt  Pt12  1  0.38825370  0.88825370  0.77650641  1.0
  Pt  Pt13  1  0.63825370  0.63825370  0.27650641  1.0
  Pt  Pt14  1  0.47209975  0.47209975  0.94420049  1.0
  Pt  Pt15  1  0.05466778  0.55466778  0.10933656  1.0
  Pt  Pt16  1  0.30466778  0.30466778  0.60933656  1.0
  Pt  Pt17  1  0.22209975  0.72209975  0.44420049  1.0