data_[Zr4Cd5Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6106]
_cell_length_b [2.9907]
_cell_length_c [9.7432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4Cd5Cu2]
_chemical_formula_sum '[Zr4 Cd5 Cu2]'
_cell_volume [221.2975]
_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  0.1501  0.5000  0.8728  1.0
  Zr  Zr1  2  0.2474  0.5000  0.4503  1.0
  Cd  Cd2  2  0.1983  0.0000  0.1645  1.0
  Cd  Cd3  2  0.4380  0.0000  0.6955  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0569  0.0000  0.6325  1.0
]