data_[Ce2Cd3Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4538]
_cell_length_b [5.1395]
_cell_length_c [8.8791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2Cd3Sn]
_chemical_formula_sum '[Ce2 Cd3 Sn1]'
_cell_volume [157.6123]
_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  0.4967  1.0
  Ce  Ce1  1  0.0000  0.5000  0.0039  1.0
  Cd  Cd2  1  0.5000  0.0000  0.1588  1.0
  Cd  Cd3  1  0.5000  0.0000  0.8295  1.0
  Cd  Cd4  1  0.5000  0.5000  0.6743  1.0
  Sn  Sn5  1  0.5000  0.5000  0.3368  1.0
]