data_Cu2ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   144.75
_cell_angle_beta   128.55
_cell_angle_gamma   63.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReOs
_chemical_formula_sum   'Cu2 Re1 Os1'
_cell_volume   52.44
_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
  Cu  Cu0  1  0.48  0.0  0.11  1.0
  Cu  Cu1  1  0.0  0.0  0.98  1.0
  Re  Re3  1  0.0  0.0  0.29  1.0
  Os  Os2  1  0.48  0.0  0.1  1.0

data_Cu2ReOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.25
_cell_length_c   4.9
_cell_angle_alpha   115.73
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReOs
_chemical_formula_sum   'Cu2 Re1 Os1'
_cell_volume   52.44
_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
  Cu  Cu0  1  0.0  0.11  0.62  1.0
  Re  Re1  1  0.0  0.29  0.29  1.0
  Cu  Cu2  1  0.0  0.98  0.98  1.0
  Os  Os3  1  0.0  0.1  0.62  1.0

Cu Cu Re Os