data_[La24P3C9Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9176]
_cell_length_b [7.9176]
_cell_length_c [21.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La8PC3Cl4]
_chemical_formula_sum '[La24 P3 C9 Cl12]'
_cell_volume [1190.0515]
_cell_formula_units_Z [3]
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  18  0.0208  0.5104  0.7671  1.0
  La  La1  6  0.0000  0.0000  0.2300  1.0
  P  P2  3  -0.0000  -0.0000  0.5000  1.0
  C  C3  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  9  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  3  0.0000  0.0000  0.0000  1.0
]