data_[Ce8In2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8281]
_cell_length_b [6.3650]
_cell_length_c [8.8106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce4InSi]
_chemical_formula_sum '[Ce8 In2 Si2]'
_cell_volume [312.8269]
_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  0.0337  0.5139  0.7844  1.0
  Ce  Ce1  2  0.3528  0.7500  0.2276  1.0
  Ce  Ce2  2  0.3601  0.7500  0.5394  1.0
  In  In3  2  0.4196  0.2500  0.0827  1.0
  Si  Si4  2  0.1787  0.2500  0.5317  1.0
]