data_[Mg1In15Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7496]
_cell_length_b [4.7496]
_cell_length_c [25.0983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [MgIn15Bi4]
_chemical_formula_sum '[Mg1 In15 Bi4]'
_cell_volume [566.1893]
_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  0.0000  1
  In  In1  4  0.0000  0.5000  0.0917  1
  In  In2  4  0.0000  0.5000  0.2948  1
  In  In3  2  0.0000  0.5000  0.5000  1
  In  In4  2  0.5000  0.5000  0.1948  1
  In  In5  2  0.5000  0.5000  0.3961  1
  In  In6  1  0.5000  0.5000  0.0000  1
  Bi  Bi7  2  0.0000  0.0000  0.1898  1
  Bi  Bi8  2  0.0000  0.0000  0.3978  1
]