data_[La4Cu2Sb2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6134]
_cell_length_b [7.2956]
_cell_length_c [11.3204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2CuSbS6]
_chemical_formula_sum '[La4 Cu2 Sb2 S12]'
_cell_volume [448.3508]
_cell_formula_units_Z [2]
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  0.2878  0.6039  0.7511  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1450  0.5247  0.2623  1.0
  S  S4  4  0.2337  0.1876  0.0489  1.0
  S  S5  4  0.3735  0.6835  0.0530  1.0
]