data_[Mg4Cd8In1]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2246]
_cell_length_b [4.8376]
_cell_length_c [19.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mg4Cd8In]
_chemical_formula_sum '[Mg4 Cd8 In1]'
_cell_volume [299.3787]
_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  0.0000  0.9314  1
  Mg  Mg1  1  0.0000  0.5000  0.1204  1
  Mg  Mg2  1  0.5000  0.0000  0.3619  1
  Mg  Mg3  1  0.5000  0.5000  0.5693  1
  Cd  Cd4  1  0.0000  0.0000  0.2167  1
  Cd  Cd5  1  0.0000  0.0000  0.4991  1
  Cd  Cd6  1  0.0000  0.5000  0.4102  1
  Cd  Cd7  1  0.0000  0.5000  0.8319  1
  Cd  Cd8  1  0.5000  0.0000  0.0743  1
  Cd  Cd9  1  0.5000  0.0000  0.7857  1
  Cd  Cd10  1  0.5000  0.5000  0.2653  1
  Cd  Cd11  1  0.5000  0.5000  0.9789  1
  In  In12  1  0.0000  0.0000  0.6519  1
]