data_[Mn4B8Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.0209]
_cell_length_b [3.0873]
_cell_length_c [12.8847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mn2B4Mo]
_chemical_formula_sum '[Mn4 B8 Mo2]'
_cell_volume [120.1680]
_cell_formula_units_Z [2]
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  Mn0  4  0.0000  0.0000  0.1865  1
  B  B1  4  0.0000  0.0000  0.3523  1
  B  B2  4  0.0000  0.5000  0.0722  1
  Mo  Mo3  2  0.0000  0.5000  0.5000  1
]