data_[La6Th4U2P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2186]
_cell_length_b [4.1581]
_cell_length_c [8.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Th2UP6]
_chemical_formula_sum '[La6 Th4 U2 P12]'
_cell_volume [616.1178]
_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  4  0.1677  0.0000  0.8330  1
  La  La1  2  0.0000  0.5000  0.5000  1
  Th  Th2  4  0.1654  0.0000  0.3322  1
  U  U3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.0009  0.0000  0.2333  1
  P  P5  4  0.1602  0.5000  0.0855  1
  P  P6  4  0.1691  0.5000  0.5782  1
]