data_[Sm1Ho3S4]
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 [Pm-3m]
_cell_length_a [5.5408]
_cell_length_b [5.5408]
_cell_length_c [5.5408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [SmHo3S4]
_chemical_formula_sum '[Sm1 Ho3 S4]'
_cell_volume [170.1006]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ho  Ho1  3  0.0000  0.5000  0.5000  1
  S  S2  3  0.0000  0.0000  0.5000  1
  S  S3  1  0.5000  0.5000  0.5000  1
]