data_[La6Ho2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3261]
_cell_length_b [4.1493]
_cell_length_c [11.7919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3HoS6]
_chemical_formula_sum '[La6 Ho2 S12]'
_cell_volume [529.9338]
_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  2  0.1612  0.7500  0.0831  1.0
  La  La1  2  0.3154  0.2500  0.4909  1.0
  La  La2  2  0.4186  0.7500  0.8299  1.0
  Ho  Ho3  2  0.0404  0.7500  0.6774  1.0
  S  S4  2  0.0874  0.2500  0.9029  1.0
  S  S5  2  0.1017  0.7500  0.4585  1.0
  S  S6  2  0.1753  0.2500  0.2503  1.0
  S  S7  2  0.2396  0.2500  0.7128  1.0
  S  S8  2  0.4104  0.7500  0.0729  1.0
  S  S9  2  0.4735  0.7500  0.6119  1.0
]