data_[La2Er2Zr2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9770]
_cell_length_b [3.4927]
_cell_length_c [8.9108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaErZrN3]
_chemical_formula_sum '[La2 Er2 Zr2 N6]'
_cell_volume [181.4515]
_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  0.3479  0.7500  0.3047  1
  Er  Er1  2  0.2316  0.2500  0.9563  1
  Zr  Zr2  2  0.1382  0.7500  0.6436  1
  N  N3  2  0.0395  0.2500  0.1607  1
  N  N4  2  0.2276  0.2500  0.5193  1
  N  N5  2  0.4413  0.7500  0.8324  1
]