data_[Sr4Tb4Cu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8934]
_cell_length_b [4.0532]
_cell_length_c [11.4589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrTbCuS3]
_chemical_formula_sum '[Sr4 Tb4 Cu4 S12]'
_cell_volume [505.9405]
_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
[
  Sr  Sr0  4  0.1853  0.7500  0.9982  1
  Tb  Tb1  4  0.0124  0.7500  0.3146  1
  Cu  Cu2  4  0.2446  0.2500  0.2143  1
  S  S3  4  0.0452  0.2500  0.1457  1
  S  S4  4  0.1058  0.7500  0.5637  1
  S  S5  4  0.2260  0.2500  0.8091  1
]