data_Cu2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReMo
_chemical_formula_sum   'Cu2 Re1 Mo1'
_cell_volume   56.19
_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  0.0  0.4  1.0
  Cu  Cu1  1  0.56  0.0  0.46  1.0
  Re  Re3  1  0.56  0.0  0.06  1.0
  Mo  Mo2  1  0.0  0.0  0.29  1.0

data_Cu2ReMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReMo
_chemical_formula_sum   'Cu2 Re1 Mo1'
_cell_volume   56.19
_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  0.0  0.4  1.0
  Re  Re1  1  0.56  0.0  0.06  1.0
  Cu  Cu2  1  0.56  0.0  0.46  1.0
  Mo  Mo3  1  0.0  0.0  0.29  1.0

Cu Cu Re Mo
Cu Cu Re Mo 0 3 o o o 0 1 - o o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 