data_[Mn10Be2B4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  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 [8.5176]
_cell_length_b [8.5176]
_cell_length_c [2.9089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Be(BMo)2]
_chemical_formula_sum '[Mn10 Be2 B4 Mo4]'
_cell_volume [211.0379]
_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  8  0.0661  0.2089  0.5000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  Be  Be2  2  0.0000  0.0000  0.0000  1.0
  B  B3  4  0.1254  0.3746  0.0000  1.0
  Mo  Mo4  4  0.1754  0.6754  0.0000  1.0
]