data_[Be2Cr4Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3024]
_cell_length_b [2.5549]
_cell_length_c [5.0472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCr2Cd]
_chemical_formula_sum '[Be2 Cr4 Cd2]'
_cell_volume [106.7023]
_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  0.4950  0.0000  0.4663  1
  Cr  Cr1  2  0.2585  0.5000  0.2414  1
  Cr  Cr2  2  0.4983  0.5000  0.0605  1
  Cd  Cd3  2  0.2483  0.0000  0.7318  1
]