data_[Na2Be2B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7526]
_cell_length_b [3.1270]
_cell_length_c [7.7825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaBeB]
_chemical_formula_sum '[Na2 Be2 B2]'
_cell_volume [90.8140]
_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  2  0.2175  0.7500  0.3186  1
  Be  Be1  2  0.3625  0.7500  0.9410  1
  B  B2  2  0.1174  0.2500  0.0155  1
]