data_[La2Zr2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9486]
_cell_length_b [3.2934]
_cell_length_c [7.1307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaZrBeN3]
_chemical_formula_sum '[La2 Zr2 Be2 N6]'
_cell_volume [158.1427]
_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
[
  La  La0  2  0.2270  0.7500  0.1914  1
  Zr  Zr1  2  0.1698  0.7500  0.6627  1
  Be  Be2  2  0.3981  0.2500  0.9227  1
  N  N3  2  0.1441  0.2500  0.8708  1
  N  N4  2  0.1648  0.2500  0.4415  1
  N  N5  2  0.4801  0.7500  0.8384  1
]