data_[Y2S2Br1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0347]
_cell_length_b [5.3765]
_cell_length_c [8.5928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y2S2BrCl]
_chemical_formula_sum '[Y2 S2 Br1 Cl1]'
_cell_volume [186.3976]
_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
[
  Y  Y0  1  0.0000  0.0000  0.8702  1
  Y  Y1  1  0.5000  0.5000  0.1383  1
  S  S2  1  0.0000  0.5000  0.9202  1
  S  S3  1  0.5000  0.0000  0.0875  1
  Br  Br4  1  0.5000  0.0000  0.6404  1
  Cl  Cl5  1  0.0000  0.5000  0.3434  1
]