data_[Sm1Y1S2Br2]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.1449]
_cell_length_b [5.4041]
_cell_length_c [9.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SmY(SBr)2]
_chemical_formula_sum '[Sm1 Y1 S2 Br2]'
_cell_volume [206.9519]
_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  0.0000  0.1304  1
  Y  Y1  1  0.0000  0.5000  0.8705  1
  S  S2  1  0.0000  0.0000  0.9255  1
  S  S3  1  0.5000  0.5000  0.0660  1
  Br  Br4  1  0.0000  0.0000  0.3483  1
  Br  Br5  1  0.5000  0.5000  0.6592  1
]