data_CrCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Pt
_chemical_formula_sum   'Cr1 Cu2 Pt1'
_cell_volume   54.05
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.4  0.44  0.68  1.0
  Cu  Cu2  1  0.4  0.56  0.68  1.0
  Pt  Pt3  1  0.8  0.0  0.0  1.0

data_CrCu2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.36
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrCu2Pt
_chemical_formula_sum   'Cr1 Cu2 Pt1'
_cell_volume   54.07
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.68  0.44  0.4  1.0
  Pt  Pt2  1  0.0  0.0  0.8  1.0

Cr Cu Cu Pt
Cr Cu Cu Pt 0 3 - o o 1 2 o o o 