data_[Li1La2Pr1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9933]
_cell_length_b [4.1167]
_cell_length_c [7.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiLa2PrS4]
_chemical_formula_sum '[Li1 La2 Pr1 S4]'
_cell_volume [193.2700]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  La  La2  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2571  0.5000  0.2451  1.0
  S  S5  2  0.2582  0.0000  0.7573  1.0
]