# generated using pymatgen
data_Ca2ScP3Pt7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.05309312
_cell_length_b   14.05309312
_cell_length_c   14.05309312
_cell_angle_alpha   163.35493252
_cell_angle_beta   163.35493252
_cell_angle_gamma   23.62397519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ScP3Pt7
_chemical_formula_sum   'Ca2 Sc1 P3 Pt7'
_cell_volume   227.66167292
_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  0.66659400  0.66659400  0.00000000  1.0
  Ca  Ca1  1  0.33340600  0.33340600  0.00000000  1.0
  Sc  Sc2  1  0.50000000  0.50000000  0.00000000  1.0
  P  P3  1  0.87714700  0.87714700  0.00000000  1.0
  P  P4  1  0.12285300  0.12285300  0.00000000  1.0
  P  P5  1  0.25000000  0.75000000  0.50000000  1.0
  Pt  Pt6  1  0.42729600  0.92729600  0.50000000  1.0
  Pt  Pt7  1  0.92572100  0.42572100  0.50000000  1.0
  Pt  Pt8  1  0.57427900  0.07427900  0.50000000  1.0
  Pt  Pt9  1  0.07270400  0.57270400  0.50000000  1.0
  Pt  Pt10  1  0.79337800  0.79337800  0.00000000  1.0
  Pt  Pt11  1  0.20662200  0.20662200  0.00000000  1.0
  Pt  Pt12  1  0.00000000  0.00000000  0.00000000  1.0