data_[Zr2Zn1Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1483]
_cell_length_b [4.7471]
_cell_length_c [8.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Zr2ZnCd3]
_chemical_formula_sum '[Zr2 Zn1 Cd3]'
_cell_volume [123.4059]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.4874  1
  Zr  Zr1  1  0.0000  0.5000  0.0156  1
  Zn  Zn2  1  0.5000  0.5000  0.3340  1
  Cd  Cd3  1  0.5000  0.0000  0.1714  1
  Cd  Cd4  1  0.5000  0.0000  0.8324  1
  Cd  Cd5  1  0.5000  0.5000  0.6592  1
]