data_[Ce4Ni2Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5023]
_cell_length_b [4.5271]
_cell_length_c [17.2112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ce2NiSn4]
_chemical_formula_sum '[Ce4 Ni2 Sn8]'
_cell_volume [350.8007]
_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  2  0.0000  0.0000  0.8954  1.0
  Ce  Ce1  2  0.5000  0.0000  0.1037  1.0
  Ni  Ni2  2  0.0000  0.0000  0.6895  1.0
  Sn  Sn3  2  0.0000  0.0000  0.2582  1.0
  Sn  Sn4  2  0.0000  0.0000  0.5446  1.0
  Sn  Sn5  2  0.5000  0.0000  0.4341  1.0
  Sn  Sn6  2  0.5000  0.0000  0.7591  1.0
]