data_[Y4Sc4B2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  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 [17.5501]
_cell_length_b [3.8076]
_cell_length_c [8.2036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Sc2BBr5]
_chemical_formula_sum '[Y4 Sc4 B2 Br10]'
_cell_volume [534.7845]
_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  4  0.0007  0.0000  0.7918  1
  Sc  Sc1  4  0.1362  0.5000  0.0691  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1681  0.0000  0.3168  1
  Br  Br4  4  0.1725  0.0000  0.8500  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]