data_[Ce4In1Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4105]
_cell_length_b [4.6731]
_cell_length_c [11.7776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce4InSn3]
_chemical_formula_sum '[Ce4 In1 Sn3]'
_cell_volume [242.7395]
_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  1  0.0000  0.0000  0.8622  1
  Ce  Ce1  1  0.0000  0.5000  0.3644  1
  Ce  Ce2  1  0.5000  0.0000  0.1372  1
  Ce  Ce3  1  0.5000  0.5000  0.6366  1
  In  In4  1  0.5000  0.5000  0.9163  1
  Sn  Sn5  1  0.0000  0.0000  0.5878  1
  Sn  Sn6  1  0.0000  0.5000  0.0856  1
  Sn  Sn7  1  0.5000  0.0000  0.4100  1
]