data_[La2Cu2Sn2S6]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6029]
_cell_length_b [3.9225]
_cell_length_c [8.6358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCuSnS3]
_chemical_formula_sum '[La2 Cu2 Sn2 S6]'
_cell_volume [289.8898]
_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  2  0.2171  0.2500  0.1484  1.0
  Cu  Cu1  2  0.4193  0.7500  0.9147  1.0
  Sn  Sn2  2  0.1725  0.2500  0.6430  1.0
  S  S3  2  0.1378  0.7500  0.3847  1.0
  S  S4  2  0.1417  0.7500  0.8902  1.0
  S  S5  2  0.4739  0.7500  0.1933  1.0
]