data_Mn2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   141.06
_cell_angle_beta   141.06
_cell_angle_gamma   56.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BMo
_chemical_formula_sum   'Mn2 B1 Mo1'
_cell_volume   44.08
_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  Mn1  1  0.61  0.0  0.13  1.0
  Mn  Mn2  1  0.0  0.61  0.13  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.26  1.0

data_Mn2BMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   118.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2BMo
_chemical_formula_sum   'Mn4 B2 Mo2'
_cell_volume   88.15
_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  4  0.32  0.2  0.52  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.26  0.0  0.26  1.0

Mn Mn B Mo