data_CoCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   131.84
_cell_angle_beta   131.84
_cell_angle_gamma   70.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Pt
_chemical_formula_sum   'Co1 Cu2 Pt1'
_cell_volume   51.07
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.85  0.0  0.86  1.0
  Cu  Cu2  1  0.0  0.85  0.86  1.0
  Pt  Pt3  1  0.0  0.0  0.71  1.0

data_CoCu2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   125.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoCu2Pt
_chemical_formula_sum   'Co2 Cu4 Pt2'
_cell_volume   102.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.07  0.07  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.71  1.0

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