data_[Li4Nd2Mn2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [5.3931]
_cell_length_b [5.3931]
_cell_length_c [6.4048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Li2NdMnN4]
_chemical_formula_sum '[Li4 Nd2 Mn2 N8]'
_cell_volume [186.2890]
_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  4  0.0000  0.5000  0.2500  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.0000  0.0000  0.5000  1
  N  N3  8  0.1825  0.1825  0.6551  1
]