data_[Mg2Zr2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8093]
_cell_length_b [2.9354]
_cell_length_c [5.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZrCd2]
_chemical_formula_sum '[Mg2 Zr2 Cd4]'
_cell_volume [176.6857]
_cell_formula_units_Z [2]
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  2  0.0011  0.5000  0.4077  1.0
  Zr  Zr1  2  0.2522  0.0000  0.8485  1.0
  Cd  Cd2  2  0.2489  0.5000  0.3459  1.0
  Cd  Cd3  2  0.4977  0.5000  0.8978  1.0
]