data_[La4Tl2P4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1691]
_cell_length_b [6.7949]
_cell_length_c [6.7963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tl(PN3)2]
_chemical_formula_sum '[La4 Tl2 P4 N12]'
_cell_volume [446.2179]
_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  0.1798  0.0000  0.8026  1
  Tl  Tl1  2  0.0000  0.5000  0.5000  1
  P  P2  4  0.1593  0.0000  0.2476  1
  N  N3  8  0.2051  0.1933  0.1723  1
  N  N4  4  0.0736  0.0000  0.3737  1
]