data_[Sm4Y6Ho2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2279]
_cell_length_b [3.9284]
_cell_length_c [7.9104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Y3HoS6]
_chemical_formula_sum '[Sm4 Y6 Ho2 S12]'
_cell_volume [520.6497]
_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  0.1675  0.0000  0.3354  1.0
  Y  Y1  4  0.1685  0.0000  0.8327  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0024  0.0000  0.7539  1.0
  S  S5  4  0.1643  0.5000  0.5882  1.0
  S  S6  4  0.1650  0.5000  0.0765  1.0
]