data_[Ba2Zr2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [7.4242]
_cell_length_b [3.3386]
_cell_length_c [7.5178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaZrBeN3]
_chemical_formula_sum '[Ba2 Zr2 Be2 N6]'
_cell_volume [176.6759]
_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
[
  Ba  Ba0  2  0.2413  0.7500  0.2010  1
  Zr  Zr1  2  0.1614  0.7500  0.6652  1
  Be  Be2  2  0.3989  0.2500  0.9243  1
  N  N3  2  0.1540  0.2500  0.4652  1
  N  N4  2  0.1541  0.2500  0.8641  1
  N  N5  2  0.4614  0.7500  0.8469  1
]