data_[Pr4Sm6Ho2S12]
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
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5403]
_cell_length_b [4.0059]
_cell_length_c [8.0785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm3HoS6]
_chemical_formula_sum '[Pr4 Sm6 Ho2 S12]'
_cell_volume [552.2799]
_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  0.1675  0.0000  0.3359  1.0
  Sm  Sm1  4  0.1695  0.0000  0.8330  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0030  0.0000  0.7604  1.0
  S  S5  4  0.1623  0.5000  0.0752  1.0
  S  S6  4  0.1643  0.5000  0.5885  1.0
]