data_CoCuMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.75
_cell_angle_alpha   98.16
_cell_angle_beta   98.16
_cell_angle_gamma   33.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuMo2
_chemical_formula_sum   'Co1 Cu1 Mo2'
_cell_volume   54.53
_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  0.06  0.0  0.35  1.0
  Cu  Cu1  1  0.62  0.0  0.51  1.0
  Mo  Mo2  1  0.1  0.0  0.6  1.0
  Mo  Mo3  1  0.51  0.0  0.28  1.0

data_CoCuMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.6
_cell_length_c   4.75
_cell_angle_alpha   98.16
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuMo2
_chemical_formula_sum   'Co1 Cu1 Mo2'
_cell_volume   54.53
_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  0.94  0.65  1.0
  Cu  Cu1  1  0.0  0.38  0.49  1.0
  Mo  Mo2  1  0.0  0.49  0.72  1.0
  Mo  Mo3  1  0.0  0.9  0.4  1.0

Co Cu Mo Mo