data_[La4Cr4P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6714]
_cell_length_b [10.3533]
_cell_length_c [5.4201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaCr(PN3)2]
_chemical_formula_sum '[La4 Cr4 P8 N24]'
_cell_volume [511.1063]
_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  0.1624  0.7500  1.0
  Cr  Cr1  4  0.0000  0.3120  0.2500  1.0
  P  P2  8  0.2387  0.0804  0.3269  1.0
  N  N3  8  0.0903  0.3773  0.5717  1.0
  N  N4  8  0.1381  0.2100  0.2113  1.0
  N  N5  8  0.1824  0.0140  0.5585  1.0
]