data_[Be4Cd4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1806]
_cell_length_b [3.9477]
_cell_length_c [7.1188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCdSe2]
_chemical_formula_sum '[Be4 Cd4 Se8]'
_cell_volume [366.3008]
_cell_formula_units_Z [4]
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  0.1146  0.5000  0.5487  1.0
  Be  Be1  2  0.3754  0.5000  0.3219  1.0
  Cd  Cd2  2  0.1275  0.0000  0.0783  1.0
  Cd  Cd3  2  0.3652  0.0000  0.7990  1.0
  Se  Se4  2  0.0489  0.0000  0.4033  1.0
  Se  Se5  2  0.0686  0.5000  0.8375  1.0
  Se  Se6  2  0.2873  0.5000  0.5718  1.0
  Se  Se7  2  0.3318  0.0000  0.1606  1.0
]