data_CoBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   39.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBMo2
_chemical_formula_sum   'Co1 B1 Mo2'
_cell_volume   47.81
_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  0.62  0.0  0.16  1.0
  B  B0  1  0.0  0.0  0.45  1.0
  Mo  Mo2  1  0.0  0.0  0.82  1.0
  Mo  Mo3  1  0.62  0.0  0.6  1.0

data_CoBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.28
_cell_length_c   4.8
_cell_angle_alpha   109.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBMo2
_chemical_formula_sum   'Co1 B1 Mo2'
_cell_volume   47.81
_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  0.38  0.16  0.16  1.0
  B  B1  1  0.0  0.45  0.45  1.0
  Mo  Mo2  1  0.0  0.82  0.82  1.0
  Mo  Mo3  1  0.38  0.6  0.6  1.0

Co B Mo Mo