data_[Mg4In8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6904]
_cell_length_b [3.4359]
_cell_length_c [8.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgIn2]
_chemical_formula_sum '[Mg4 In8]'
_cell_volume [303.4643]
_cell_formula_units_Z [4]
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  4  0.0269  0.0000  0.3008  1.0
  In  In1  4  0.1406  0.5000  0.0329  1.0
  In  In2  4  0.1873  0.5000  0.6330  1.0
]