data_[Tb1Pr2Sm1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [6.9826]
_cell_length_b [3.9902]
_cell_length_c [7.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbPr2SmS4]
_chemical_formula_sum '[Tb1 Pr2 Sm1 S4]'
_cell_volume [186.3385]
_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
[
  Tb  Tb0  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr1  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  1  0.5000  0.0000  0.5000  1.0
  Sm  Sm3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2496  0.5000  0.2384  1.0
  S  S5  2  0.2585  0.0000  0.7642  1.0
]