data_[La6Y4Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [6.0417]
_cell_length_b [10.4512]
_cell_length_c [6.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9518]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Y2TaN6]
_chemical_formula_sum '[La6 Y4 Ta2 N12]'
_cell_volume [369.7802]
_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  4  0.0000  0.1671  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3332  0.0000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2226  0.1513  0.2127  1.0
  N  N5  4  0.2312  0.0000  0.7810  1.0
]