data_[Y2Si2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4710]
_cell_length_b [3.6251]
_cell_length_c [7.4784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YSiBr2]
_chemical_formula_sum '[Y2 Si2 Br4]'
_cell_volume [280.2833]
_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
[
  Y  Y0  2  0.2022  0.5000  0.3495  1
  Si  Si1  2  0.4260  0.0000  0.4049  1
  Br  Br2  2  0.0786  0.0000  0.0867  1
  Br  Br3  2  0.2931  0.0000  0.6589  1
]