data_[La4Pt4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2789]
_cell_length_b [3.9062]
_cell_length_c [8.2317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPtN3]
_chemical_formula_sum '[La4 Pt4 N12]'
_cell_volume [375.3458]
_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  0.1213  0.0000  0.8684  1.0
  Pt  Pt1  4  0.1237  0.5000  0.2410  1.0
  N  N2  4  0.1161  0.5000  0.4622  1.0
  N  N3  4  0.1290  0.5000  0.6075  1.0
  N  N4  4  0.1678  0.5000  0.0367  1.0
]