data_KCa2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   132.65
_cell_angle_beta   132.65
_cell_angle_gamma   69.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Pt
_chemical_formula_sum   'K1 Ca2 Pt1'
_cell_volume   120.58
_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  K2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.0  0.0  0.02  1.0
  Ca  Ca1  1  0.0  0.45  0.51  1.0
  Pt  Pt3  1  0.45  0.0  0.51  1.0

data_KCa2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.1
_cell_angle_alpha   113.68
_cell_angle_beta   113.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCa2Pt
_chemical_formula_sum   'K1 Ca2 Pt1'
_cell_volume   120.58
_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  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.02  0.02  0.02  1.0
  Ca  Ca2  1  0.06  0.51  0.06  1.0
  Pt  Pt3  1  0.51  0.06  0.06  1.0

K Ca Ca Pt