data_[La2Mg4Ta2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Pmn2_1]
_cell_length_a [7.4157]
_cell_length_b [5.9946]
_cell_length_c [5.5049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LaMg2TaN4]
_chemical_formula_sum '[La2 Mg4 Ta2 N8]'
_cell_volume [244.7151]
_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  0.0000  0.8244  0.4776  1.0
  Mg  Mg1  4  0.2492  0.6680  0.9926  1.0
  Ta  Ta2  2  0.0000  0.1928  0.9978  1.0
  N  N3  4  0.2175  0.3384  0.8732  1.0
  N  N4  2  0.0000  0.2109  0.3524  1.0
  N  N5  2  0.0000  0.8658  0.9404  1.0
]