data_[Pr4Sm6Dy2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [C2/m]
_cell_length_a [17.5618]
_cell_length_b [4.0098]
_cell_length_c [8.0809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm3DyS6]
_chemical_formula_sum '[Pr4 Sm6 Dy2 S12]'
_cell_volume [553.6281]
_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
[
  Pr  Pr0  4  0.1674  0.0000  0.3357  1.0
  Sm  Sm1  4  0.1691  0.0000  0.8331  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0029  0.0000  0.7587  1.0
  S  S5  4  0.1631  0.5000  0.0757  1.0
  S  S6  4  0.1644  0.5000  0.5886  1.0
]