data_[Li2Mg4Ta6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5961]
_cell_length_b [3.0671]
_cell_length_c [6.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiMg2(TaN2)3]
_chemical_formula_sum '[Li2 Mg4 Ta6 N12]'
_cell_volume [252.7860]
_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  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.1647  0.0000  0.3287  1.0
  Ta  Ta2  4  0.1627  0.0000  0.8369  1.0
  Ta  Ta3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0026  0.0000  0.7378  1.0
  N  N5  4  0.1646  0.5000  0.5897  1.0
  N  N6  4  0.1713  0.5000  0.0801  1.0
]