data_[Mg1Zn10Cd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.3666]
_cell_length_b [5.1100]
_cell_length_c [9.1284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [MgZn10Cd]
_chemical_formula_sum '[Mg1 Zn10 Cd1]'
_cell_volume [203.6864]
_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
[
  Mg  Mg0  1  0.0000  0.5000  0.5000  1
  Zn  Zn1  4  0.5000  0.2529  0.2549  1
  Zn  Zn2  2  0.0000  0.0000  0.3350  1
  Zn  Zn3  2  0.0000  0.5000  0.1670  1
  Zn  Zn4  1  0.5000  0.0000  0.5000  1
  Zn  Zn5  1  0.5000  0.5000  0.0000  1
  Cd  Cd6  1  0.0000  0.0000  0.0000  1
]