# generated using pymatgen
data_KCaPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44473660
_cell_length_b   5.44473643
_cell_length_c   5.44473694
_cell_angle_alpha   60.00000281
_cell_angle_beta   60.00000387
_cell_angle_gamma   60.00000152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaPt4
_chemical_formula_sum   'K1 Ca1 Pt4'
_cell_volume   114.13416526
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.25000000  0.25000000  0.25000000  1.0
  Pt  Pt2  1  0.12537174  0.62487642  0.62487642  1.0
  Pt  Pt3  1  0.62487642  0.62487642  0.62487642  1.0
  Pt  Pt4  1  0.62487642  0.62487642  0.12537174  1.0
  Pt  Pt5  1  0.62487642  0.12537174  0.62487642  1.0