data_CrBMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   25.53
_cell_angle_beta   25.53
_cell_angle_gamma   25.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBMo2
_chemical_formula_sum   'Cr1 B1 Mo2'
_cell_volume   51.68
_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
  Cr  Cr1  1  0.0  0.0  0.88  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.27  1.0
  Mo  Mo3  1  0.0  0.0  0.48  1.0

data_CrBMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   3.01
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   104.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrBMo2
_chemical_formula_sum   'Cr2 B2 Mo4'
_cell_volume   103.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cr  Cr0  2  0.0  0.0  0.12  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.52  1.0
  Mo  Mo3  2  0.0  0.0  0.73  1.0

Cr B Mo Mo