data_[Mn10Be4Nb4Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.7184]
_cell_length_b [8.7184]
_cell_length_c [3.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Be2Nb2Ga]
_chemical_formula_sum '[Mn10 Be4 Nb4 Ga2]'
_cell_volume [249.0971]
_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  0.0666  0.7854  0.5000  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Be  Be2  4  0.1192  0.6192  0.0000  1
  Nb  Nb3  4  0.1748  0.3252  0.0000  1
  Ga  Ga4  2  0.0000  0.0000  0.0000  1
]