data_[Y4B4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1469]
_cell_length_b [3.5490]
_cell_length_c [11.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YBBr]
_chemical_formula_sum '[Y4 B4 Br4]'
_cell_volume [254.7067]
_cell_formula_units_Z [4]
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  4  0.0618  0.0000  0.1545  1.0
  B  B1  4  0.1631  0.5000  0.9912  1.0
  Br  Br2  4  0.2028  0.0000  0.6741  1.0
]