data_[Na4Y2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6397]
_cell_length_b [4.3021]
_cell_length_c [13.0691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2YBr6]
_chemical_formula_sum '[Na4 Y2 Br12]'
_cell_volume [636.5942]
_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
[
  Na  Na0  4  0.1296  0.0000  0.8330  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.0975  0.0000  0.4240  1.0
  Br  Br3  4  0.1039  0.5000  0.9783  1.0
  Br  Br4  4  0.1900  0.5000  0.7146  1.0
]