data_[Y1Se4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2318]
_cell_length_b [7.2441]
_cell_length_c [7.3740]
_cell_angle_alpha [75.1246]
_cell_angle_beta [79.7726]
_cell_angle_gamma [89.6727]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y(Se2Br3)2]
_chemical_formula_sum '[Y1 Se4 Br6]'
_cell_volume [367.1017]
_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  0.0000  1.0
  Se  Se1  2  0.3654  0.5595  0.6856  1.0
  Se  Se2  2  0.4724  0.7168  0.3551  1.0
  Br  Br3  2  0.1249  0.6557  0.2096  1.0
  Br  Br4  2  0.2160  0.9614  0.6491  1.0
  Br  Br5  2  0.3065  0.2010  0.0535  1.0
]