data_[La2In2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6812]
_cell_length_b [4.0245]
_cell_length_c [7.8931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaInS3]
_chemical_formula_sum '[La2 In2 S6]'
_cell_volume [242.1386]
_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  0.3748  0.2500  0.2220  1.0
  In  In1  2  0.1518  0.7500  0.6611  1.0
  S  S2  2  0.0867  0.7500  0.3302  1.0
  S  S3  2  0.3014  0.7500  0.9647  1.0
  S  S4  2  0.3789  0.2500  0.6064  1.0
]