data_[Mg5Cd6In1]
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 [P-1]
_cell_length_a [4.5809]
_cell_length_b [7.1996]
_cell_length_c [8.6279]
_cell_angle_alpha [86.3317]
_cell_angle_beta [87.1344]
_cell_angle_gamma [71.6726]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg5Cd6In]
_chemical_formula_sum '[Mg5 Cd6 In1]'
_cell_volume [269.4330]
_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  0.3319  0.3326  0.4997  1.0
  Mg  Mg1  2  0.3324  0.3305  0.0003  1.0
  Mg  Mg2  1  0.0000  0.0000  0.5000  1.0
  Cd  Cd3  2  0.1668  0.6594  0.7453  1.0
  Cd  Cd4  2  0.1734  0.6612  0.2546  1.0
  Cd  Cd5  2  0.4978  0.9979  0.7401  1.0
  In  In6  1  0.0000  0.0000  0.0000  1.0
]