data_CoCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   132.46
_cell_angle_beta   129.31
_cell_angle_gamma   72.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Mo
_chemical_formula_sum   'Co1 Cu2 Mo1'
_cell_volume   49.83
_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  0.42  1.0
  Cu  Cu1  1  0.8  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.79  1.0
  Mo  Mo3  1  0.0  0.91  0.02  1.0

data_CoCu2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.83
_cell_length_c   4.47
_cell_angle_alpha   115.35
_cell_angle_beta   113.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2Mo
_chemical_formula_sum   'Co1 Cu2 Mo1'
_cell_volume   49.83
_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  0.42  0.42  1.0
  Cu  Cu1  1  0.0  0.0  0.2  1.0
  Cu  Cu2  1  0.0  0.79  0.79  1.0
  Mo  Mo3  1  0.09  0.1  0.1  1.0

Co Cu Cu Mo