data_[Sm2Ho2S6]
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 [7.8047]
_cell_length_b [3.9252]
_cell_length_c [7.8083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5447]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmHoS3]
_chemical_formula_sum '[Sm2 Ho2 S6]'
_cell_volume [238.4559]
_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  0.3790  0.2500  0.2301  1.0
  Ho  Ho1  2  0.1467  0.7500  0.6784  1.0
  S  S2  2  0.0999  0.7500  0.3207  1.0
  S  S3  2  0.3196  0.7500  0.9786  1.0
  S  S4  2  0.3755  0.2500  0.6133  1.0
]