data_[Be4Ni2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.2891]
_cell_length_b [7.2891]
_cell_length_c [3.4297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Be2NiBr2]
_chemical_formula_sum '[Be4 Ni2 Br4]'
_cell_volume [182.2275]
_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
[
  Be  Be0  4  0.1000  0.6000  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  Br  Br2  4  0.2345  0.7345  0.0000  1
]