data_[La2Ce4Sm6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1681]
_cell_length_b [12.4140]
_cell_length_c [7.1564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCe2(SmP2)3]
_chemical_formula_sum '[La2 Ce4 Sm6 P12]'
_cell_volume [600.2443]
_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  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.3330  0.0000  1.0
  Sm  Sm2  4  0.0000  0.1654  0.5000  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  P  P4  8  0.2463  0.3296  0.7505  1.0
  P  P5  4  0.2423  0.5000  0.2497  1.0
]