data_[Ca4Tb16S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9029]
_cell_length_b [12.9834]
_cell_length_c [20.0944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca(Tb2S3)2]
_chemical_formula_sum '[Ca4 Tb16 S24]'
_cell_volume [1018.2357]
_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
[
  Ca  Ca0  4  0.0000  0.3431  0.7500  1
  Tb  Tb1  8  0.0000  0.1373  0.0413  1
  Tb  Tb2  8  0.0000  0.4062  0.1312  1
  S  S3  8  0.0000  0.0454  0.1643  1
  S  S4  8  0.0000  0.2292  0.5862  1
  S  S5  4  0.0000  0.3105  0.2500  1
  S  S6  4  0.0000  0.5000  0.0000  1
]