data_[Na4Be4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3874]
_cell_length_b [7.4617]
_cell_length_c [12.8995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaBeBr3]
_chemical_formula_sum '[Na4 Be4 Br12]'
_cell_volume [635.6146]
_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  0.2430  0.1295  0.7589  1.0
  Be  Be1  4  0.3732  0.5875  0.8872  1.0
  Br  Br2  4  0.1640  0.6998  0.3667  1.0
  Br  Br3  4  0.3085  0.1493  0.4769  1.0
  Br  Br4  4  0.3759  0.0007  0.2294  1.0
]