data_[Ca3La12Ce9P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4113]
_cell_length_b [8.4113]
_cell_length_c [20.6173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaLa4Ce3P8]
_chemical_formula_sum '[Ca3 La12 Ce9 P24]'
_cell_volume [1263.2641]
_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
[
  Ca  Ca0  3  -0.0000  -0.0000  0.5000  1.0
  La  La1  9  0.0000  0.5000  0.0000  1.0
  La  La2  3  0.0000  0.0000  0.0000  1.0
  Ce  Ce3  9  0.0000  0.5000  0.5000  1.0
  P  P4  18  0.0063  0.5031  0.7535  1.0
  P  P5  6  0.0000  0.0000  0.2459  1.0
]