data_[Na2Ta2Be2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9650]
_cell_length_b [3.5642]
_cell_length_c [11.2649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTaBe]
_chemical_formula_sum '[Na2 Ta2 Be2]'
_cell_volume [119.0320]
_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  0.2667  0.2500  0.3585  1
  Ta  Ta1  2  0.2565  0.2500  0.0764  1
  Be  Be2  2  0.2383  0.2500  0.8296  1
]