data_[Ce5Th2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.5363]
_cell_length_b [3.2844]
_cell_length_c [11.1651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce5(ThIn2)2]
_chemical_formula_sum '[Ce5 Th2 In4]'
_cell_volume [308.7685]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  2  0.2149  0.0000  0.1804  1
  Ce  Ce1  2  0.4819  0.0000  0.6896  1
  Ce  Ce2  1  0.5000  0.0000  0.0000  1
  Th  Th3  2  0.0808  0.0000  0.6565  1
  In  In4  2  0.1518  0.5000  0.9149  1
  In  In5  2  0.2601  0.5000  0.4522  1
]