data_[Tb2Sm1Dy1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8447]
_cell_length_b [3.9027]
_cell_length_c [6.8610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb2SmDyS4]
_chemical_formula_sum '[Tb2 Sm1 Dy1 S4]'
_cell_volume [173.0643]
_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  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  1  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  1  0.5000  0.5000  0.0000  1.0
  Dy  Dy3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2457  0.0000  0.7443  1.0
  S  S5  2  0.2490  0.5000  0.2540  1.0
]