data_CoBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   138.71
_cell_angle_beta   121.31
_cell_angle_gamma   74.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBMo2
_chemical_formula_sum   'Co1 B1 Mo2'
_cell_volume   49.44
_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
  Co  Co1  1  0.0  0.0  0.57  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.58  0.0  0.57  1.0
  Mo  Mo3  1  0.0  0.19  0.0  1.0

data_CoBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.39
_cell_length_c   4.48
_cell_angle_alpha   119.35
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBMo2
_chemical_formula_sum   'Co1 B1 Mo2'
_cell_volume   49.44
_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
  Co  Co0  1  0.43  0.43  0.43  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.01  0.43  0.01  1.0
  Mo  Mo3  1  1.0  0.19  0.19  1.0

Co B Mo Mo