data_CoPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   117.0
_cell_angle_beta   117.0
_cell_angle_gamma   117.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt3
_chemical_formula_sum   'Co1 Pt3'
_cell_volume   60.18
_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
  Pt  Pt1  1  0.8  0.73  0.9  1.0
  Pt  Pt2  1  0.2  0.73  0.9  1.0
  Pt  Pt3  1  0.0  0.53  0.9  1.0

data_CoPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   117.0
_cell_angle_beta   100.08
_cell_angle_gamma   100.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt3
_chemical_formula_sum   'Co1 Pt3'
_cell_volume   60.18
_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
  Pt  Pt1  1  0.9  0.1  0.17  1.0
  Pt  Pt2  1  0.9  0.71  0.17  1.0
  Pt  Pt3  1  0.9  0.9  0.37  1.0

Co Pt Pt Pt