data_[Sm2Ho6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [11.0257]
_cell_length_b [3.9603]
_cell_length_c [11.2968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(HoS2)3]
_chemical_formula_sum '[Sm2 Ho6 S12]'
_cell_volume [467.1430]
_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
[
  Sm  Sm0  2  0.0467  0.7500  0.6929  1.0
  Ho  Ho1  2  0.1608  0.7500  0.0856  1.0
  Ho  Ho2  2  0.3189  0.2500  0.4977  1.0
  Ho  Ho3  2  0.4372  0.7500  0.8321  1.0
  S  S4  2  0.0822  0.2500  0.9041  1.0
  S  S5  2  0.1151  0.7500  0.4632  1.0
  S  S6  2  0.1944  0.2500  0.2491  1.0
  S  S7  2  0.2602  0.2500  0.7259  1.0
  S  S8  2  0.3965  0.7500  0.0610  1.0
  S  S9  2  0.4776  0.7500  0.6120  1.0
]