data_[Y1Si1Br2]
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 [Pm]
_cell_length_a [4.5699]
_cell_length_b [3.5773]
_cell_length_c [8.0946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YSiBr2]
_chemical_formula_sum '[Y1 Si1 Br2]'
_cell_volume [132.2727]
_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  0.3334  0.5000  0.3355  1
  Si  Si1  1  0.8341  0.0000  0.4271  1
  Br  Br2  1  0.1913  0.0000  0.0774  1
  Br  Br3  1  0.6413  0.5000  0.6601  1
]