data_[Sm4Ho6Sc2S12]
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
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9968]
_cell_length_b [3.8913]
_cell_length_c [7.8255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ho3ScS6]
_chemical_formula_sum '[Sm4 Ho6 Sc2 S12]'
_cell_volume [503.2250]
_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  4  0.1667  0.0000  0.3338  1.0
  Ho  Ho1  4  0.1693  0.0000  0.8343  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0037  0.0000  0.7608  1.0
  S  S5  4  0.1619  0.5000  0.0732  1.0
  S  S6  4  0.1638  0.5000  0.5897  1.0
]