data_[Mg4Cd5Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  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 [7.3992]
_cell_length_b [3.2087]
_cell_length_c [9.3534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg4Cd5Cu2]
_chemical_formula_sum '[Mg4 Cd5 Cu2]'
_cell_volume [221.4866]
_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  2  0.1810  0.5000  0.8573  1.0
  Mg  Mg1  2  0.2219  0.5000  0.4369  1.0
  Cd  Cd2  2  0.1680  0.0000  0.1494  1.0
  Cd  Cd3  2  0.4482  0.0000  0.6706  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0687  0.0000  0.6305  1.0
]