data_[La2In2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.7402]
_cell_length_b [6.7490]
_cell_length_c [8.6188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LaInGeS4]
_chemical_formula_sum '[La2 In2 Ge2 S8]'
_cell_volume [375.0445]
_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  0.2346  0.9956  0.5576  1
  In  In1  2  0.2718  0.0149  0.0710  1
  Ge  Ge2  2  0.2202  0.5258  0.3130  1
  S  S3  2  0.0162  0.2679  0.7319  1
  S  S4  2  0.0221  0.2552  0.2832  1
  S  S5  2  0.4133  0.5718  0.5721  1
  S  S6  2  0.4188  0.5297  0.1498  1
]