data_[Na4Y4Br16]
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/c]
_cell_length_a [8.4230]
_cell_length_b [16.8433]
_cell_length_c [7.2263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaYBr4]
_chemical_formula_sum '[Na4 Y4 Br16]'
_cell_volume [912.3156]
_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
[
  Na  Na0  4  0.0000  0.2977  0.7500  1.0
  Y  Y1  4  0.0000  0.4307  0.2500  1.0
  Br  Br2  8  0.2075  0.4431  0.6889  1.0
  Br  Br3  8  0.2184  0.6805  0.7076  1.0
]