data_[Li3Mg12Ta9N24]
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 [R-3m]
_cell_length_a [6.2012]
_cell_length_b [6.2012]
_cell_length_c [15.1424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiMg4Ta3N8]
_chemical_formula_sum '[Li3 Mg12 Ta9 N24]'
_cell_volume [504.2870]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  9  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Ta  Ta3  9  0.0000  0.5000  0.0000  1.0
  N  N4  18  0.0165  0.5082  0.2563  1.0
  N  N5  6  0.0000  0.0000  0.2536  1.0
]