data_[Mn2Be4Nb4Fe10]
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
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.7239]
_cell_length_b [8.7239]
_cell_length_c [3.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [MnBe2Nb2Fe5]
_chemical_formula_sum '[Mn2 Be4 Nb4 Fe10]'
_cell_volume [229.2739]
_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
  Be  Be1  4  0.1213  0.3787  0.0000  1.0
  Nb  Nb2  4  0.1755  0.6755  0.0000  1.0
  Fe  Fe3  8  0.0672  0.2088  0.5000  1.0
  Fe  Fe4  2  0.0000  0.5000  0.5000  1.0
]