data_[Ce10Th4In4]
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 [C2/m]
_cell_length_a [17.2349]
_cell_length_b [3.3531]
_cell_length_c [8.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5(ThIn)2]
_chemical_formula_sum '[Ce10 Th4 In4]'
_cell_volume [506.4435]
_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
[
  Ce  Ce0  4  0.1554  0.0000  0.5923  1
  Ce  Ce1  4  0.1696  0.5000  0.8748  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.1605  0.0000  0.2255  1
  In  In4  4  0.0090  0.5000  0.3347  1
]