data_[Be2Cd2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1127]
_cell_length_b [2.7244]
_cell_length_c [4.9064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCdFe2]
_chemical_formula_sum '[Be2 Cd2 Fe4]'
_cell_volume [106.7671]
_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
[
  Be  Be0  2  0.0127  0.5000  0.5586  1
  Cd  Cd1  2  0.2509  0.5000  0.2596  1
  Fe  Fe2  2  0.2485  0.0000  0.7484  1
  Fe  Fe3  2  0.4879  0.5000  0.9333  1
]