data_[Be2Cd4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0468]
_cell_length_b [3.0334]
_cell_length_c [6.6122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCd2In]
_chemical_formula_sum '[Be2 Cd4 In2]'
_cell_volume [169.4043]
_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  0.2799  0.5000  0.1214  1
  Cd  Cd1  2  0.0556  0.0000  0.1204  1
  Cd  Cd2  2  0.2412  0.0000  0.7799  1
  In  In3  2  0.4233  0.0000  0.4783  1
]