data_[La2Be4Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6782]
_cell_length_b [3.8813]
_cell_length_c [5.1040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaBe2Fe]
_chemical_formula_sum '[La2 Be4 Fe2]'
_cell_volume [128.2359]
_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
[
  La  La0  2  0.1782  0.5000  0.2526  1
  Be  Be1  2  0.2761  0.0000  0.7612  1
  Be  Be2  2  0.4483  0.5000  0.7852  1
  Fe  Fe3  2  0.0975  0.5000  0.7011  1
]