data_CaCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.5
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   101.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2Pt
_chemical_formula_sum   'Ca1 Cu2 Pt1'
_cell_volume   68.97
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.73  0.25  0.52  1.0
  Cu  Cu2  1  0.15  0.25  0.65  1.0
  Pt  Pt3  1  0.94  0.0  0.58  1.0

data_CaCu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.5
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   101.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2Pt
_chemical_formula_sum   'Ca1 Cu2 Pt1'
_cell_volume   68.97
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.15  0.25  0.65  1.0
  Cu  Cu2  1  0.73  0.25  0.52  1.0
  Pt  Pt3  1  0.94  0.0  0.58  1.0

Ca Cu Cu Pt
Ca Cu Cu Pt 0 3 - o - 0 2 o o - 1 3 o o o 1 2 + o o 2 3 - o o 