data_[Zr4Zn2Cd5]
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 [P2/m]
_cell_length_a [7.6415]
_cell_length_b [3.0357]
_cell_length_c [9.8675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4Zn2Cd5]
_chemical_formula_sum '[Zr4 Zn2 Cd5]'
_cell_volume [228.3738]
_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  2  0.1491  0.5000  0.8793  1.0
  Zr  Zr1  2  0.2693  0.5000  0.4503  1.0
  Zn  Zn2  2  0.0529  0.0000  0.6315  1.0
  Cd  Cd3  2  0.1984  0.0000  0.1670  1.0
  Cd  Cd4  2  0.4326  0.0000  0.7027  1.0
  Cd  Cd5  1  0.5000  0.0000  0.0000  1.0
]