data_[La2Ho6S12]
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 [11.0916]
_cell_length_b [4.0088]
_cell_length_c [11.3591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(HoS2)3]
_chemical_formula_sum '[La2 Ho6 S12]'
_cell_volume [478.1648]
_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  0.4495  0.7500  0.8051  1.0
  Ho  Ho1  2  0.0558  0.7500  0.6668  1.0
  Ho  Ho2  2  0.1791  0.2500  0.0009  1.0
  Ho  Ho3  2  0.3392  0.7500  0.4120  1.0
  S  S4  2  0.0220  0.7500  0.8892  1.0
  S  S5  2  0.1063  0.7500  0.4428  1.0
  S  S6  2  0.2314  0.2500  0.7705  1.0
  S  S7  2  0.3024  0.2500  0.2511  1.0
  S  S8  2  0.3797  0.7500  0.0370  1.0
  S  S9  2  0.4174  0.2500  0.5922  1.0
]