data_[La6Pr4Ho2S12]
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
  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 [7.0887]
_cell_length_b [12.2974]
_cell_length_c [7.0879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Pr2HoS6]
_chemical_formula_sum '[La6 Pr4 Ho2 S12]'
_cell_volume [582.1993]
_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
[
  La  La0  4  0.0000  0.1707  0.5000  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Pr  Pr2  4  0.0000  0.3333  0.0000  1
  Ho  Ho3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2403  0.1608  0.2394  1
  S  S5  4  0.2401  0.0000  0.7565  1
]