data_[Ce2Zn1In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6263]
_cell_length_b [4.9315]
_cell_length_c [8.5970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2ZnIn3]
_chemical_formula_sum '[Ce2 Zn1 In3]'
_cell_volume [153.7399]
_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  0.4947  1.0
  Ce  Ce1  1  0.0000  0.5000  0.0077  1.0
  Zn  Zn2  1  0.5000  0.5000  0.3315  1.0
  In  In3  1  0.5000  0.0000  0.1771  1.0
  In  In4  1  0.5000  0.0000  0.8349  1.0
  In  In5  1  0.5000  0.5000  0.6541  1.0
]