data_[La8Th4Cu4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9527]
_cell_length_b [16.8256]
_cell_length_c [12.2934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2ThCuS5]
_chemical_formula_sum '[La8 Th4 Cu4 S20]'
_cell_volume [817.5816]
_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
[
  La  La0  4  0.0000  0.1144  0.6949  1
  La  La1  4  0.0000  0.1183  0.3469  1
  Th  Th2  4  0.0000  0.1784  0.0277  1
  Cu  Cu3  4  0.0000  0.4512  0.4196  1
  S  S4  4  0.0000  0.0158  0.0096  1
  S  S5  4  0.0000  0.3011  0.6908  1
  S  S6  4  0.0000  0.3168  0.3618  1
  S  S7  4  0.0000  0.3441  0.0211  1
  S  S8  4  0.0000  0.4920  0.7516  1
]