data_CoBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBMo2
_chemical_formula_sum   'Co1 B1 Mo2'
_cell_volume   47.65
_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  0.73  0.0  0.17  1.0
  B  B0  1  0.0  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.21  1.0
  Mo  Mo3  1  0.73  0.0  0.8  1.0

data_CoBMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   2.64
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBMo2
_chemical_formula_sum   'Co1 B1 Mo2'
_cell_volume   47.65
_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  0.73  0.0  0.17  1.0
  B  B1  1  0.0  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.21  1.0
  Mo  Mo3  1  0.73  0.0  0.8  1.0

Co B Mo Mo
Co B Mo Mo 0 2 + o o 0 1 + o o 0 3 o o - 1 2 o o o 1 3 - o - 2 3 - o - 3 3 o + o 3 3 + o o 