data_[Sm1Ho1S2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0547]
_cell_length_b [5.3790]
_cell_length_c [8.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SmHo(SCl)2]
_chemical_formula_sum '[Sm1 Ho1 S2 Cl2]'
_cell_volume [191.8390]
_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  0.5000  0.5000  0.1372  1
  Ho  Ho1  1  0.0000  0.0000  0.8634  1
  S  S2  1  0.0000  0.5000  0.9160  1
  S  S3  1  0.5000  0.0000  0.0728  1
  Cl  Cl4  1  0.0000  0.5000  0.3449  1
  Cl  Cl5  1  0.5000  0.0000  0.6657  1
]