data_[Mn4Be2Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.6894]
_cell_length_b [7.8230]
_cell_length_c [2.3835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2BeFe]
_chemical_formula_sum '[Mn4 Be2 Fe2]'
_cell_volume [82.4791]
_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  0.2500  0.2500  0.0000  1
  Be  Be1  2  0.0000  0.5000  0.5000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
]