data_[La2Pr1Sm1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1152]
_cell_length_b [4.0925]
_cell_length_c [7.1342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2PrSmS4]
_chemical_formula_sum '[La2 Pr1 Sm1 S4]'
_cell_volume [195.9292]
_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
[
  La  La0  1  0.5000  0.0000  0.5000  1.0
  La  La1  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr2  1  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2419  0.5000  0.2431  1.0
  S  S5  2  0.2452  0.0000  0.7525  1.0
]