data_FeBMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   148.3
_cell_angle_beta   148.3
_cell_angle_gamma   45.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBMo
_chemical_formula_sum   'Fe1 B1 Mo1'
_cell_volume   31.45
_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
  Fe  Fe1  1  0.0  0.0  0.3  1.0
  B  B0  1  0.0  0.0  0.73  1.0
  Mo  Mo2  1  0.0  0.0  0.88  1.0

data_FeBMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeBMo
_chemical_formula_sum   'Fe2 B2 Mo2'
_cell_volume   62.91
_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
  Fe  Fe0  2  0.0  0.0  0.7  1.0
  B  B1  2  0.0  0.0  0.27  1.0
  Mo  Mo2  2  0.0  0.0  0.12  1.0

Fe B Mo