data_MnB2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   36.09
_cell_angle_beta   36.09
_cell_angle_gamma   36.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB2Mo
_chemical_formula_sum   'Mn1 B2 Mo1'
_cell_volume   39.4
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.41  1.0
  B  B1  1  0.0  0.0  0.67  1.0
  Mo  Mo3  1  0.0  0.0  0.04  1.0

data_MnB2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnB2Mo
_chemical_formula_sum   'Mn2 B4 Mo2'
_cell_volume   78.8
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.33  1.0
  B  B2  2  0.0  0.0  0.59  1.0
  Mo  Mo3  2  0.0  0.0  0.96  1.0

Mn B B Mo