data_[Ho6Er4Sc2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  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 [16.7843]
_cell_length_b [3.8405]
_cell_length_c [7.7047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3Er2ScS6]
_chemical_formula_sum '[Ho6 Er4 Sc2 S12]'
_cell_volume [482.6797]
_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
[
  Ho  Ho0  4  0.1677  0.0000  0.8347  1.0
  Ho  Ho1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.1658  0.0000  0.3316  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0005  0.0000  0.7595  1.0
  S  S5  4  0.1626  0.5000  0.0823  1.0
  S  S6  4  0.1672  0.5000  0.5820  1.0
]