data_[La8Pr4Ta4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.9414]
_cell_length_b [7.1623]
_cell_length_c [10.0386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La2PrTaN4]
_chemical_formula_sum '[La8 Pr4 Ta4 N16]'
_cell_volume [499.0845]
_cell_formula_units_Z [4]
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  0.0000  0.0000  1.0
  La  La1  4  0.2500  0.2500  0.7500  1.0
  Pr  Pr2  4  0.0000  0.0000  0.5000  1.0
  Ta  Ta3  4  0.2500  0.2500  0.2500  1.0
  N  N4  8  0.0000  0.0406  0.2500  1.0
  N  N5  8  0.2495  0.2500  0.4638  1.0
]