data_[Mn2Fe10B4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.6087]
_cell_length_b [8.6087]
_cell_length_c [2.8631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [MnFe5(BMo)2]
_chemical_formula_sum '[Mn2 Fe10 B4 Mo4]'
_cell_volume [212.1798]
_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  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  8  0.0668  0.2168  0.5000  1.0
  Fe  Fe2  2  0.0000  0.5000  0.5000  1.0
  B  B3  4  0.1222  0.3778  0.0000  1.0
  Mo  Mo4  4  0.1783  0.6783  0.0000  1.0
]