data_[Be8Cd8S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.9943]
_cell_length_b [11.3016]
_cell_length_c [6.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [BeCdS2]
_chemical_formula_sum '[Be8 Cd8 S16]'
_cell_volume [701.1570]
_cell_formula_units_Z [8]
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  8  0.1418  0.0000  0.8665  1.0
  Cd  Cd1  8  0.0000  0.1465  0.3688  1.0
  S  S2  8  0.0000  0.1348  0.9567  1.0
  S  S3  8  0.1762  0.0000  0.5283  1.0
]