data_[Li2Zr2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7188]
_cell_length_b [3.3009]
_cell_length_c [5.4272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiZrN2]
_chemical_formula_sum '[Li2 Zr2 N4]'
_cell_volume [102.4027]
_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
[
  Li  Li0  2  0.1712  0.5000  0.4685  1
  Zr  Zr1  2  0.4954  0.5000  0.0261  1
  N  N2  2  0.1561  0.5000  0.8371  1
  N  N3  2  0.3343  0.0000  0.2513  1
]