data_[Ba4Ca8Cd4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1613]
_cell_length_b [14.0468]
_cell_length_c [14.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCa2CdS4]
_chemical_formula_sum '[Ba4 Ca8 Cd4 S16]'
_cell_volume [833.0767]
_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
[
  Ba  Ba0  4  0.0000  0.1242  0.7500  1
  Ca  Ca1  8  0.0000  0.3733  0.5483  1
  Cd  Cd2  4  0.0000  0.1477  0.2500  1
  S  S3  8  0.0000  0.2617  0.1143  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4543  0.7500  1
]