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 [Amm2]
_cell_length_a [5.3699]
_cell_length_b [3.5455]
_cell_length_c [16.2499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgIn2]
_chemical_formula_sum '[Mg4 In8]'
_cell_volume [309.3833]
_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  2  0.5000  0.0000  0.1094  1.0
  Mg  Mg1  2  0.5000  0.0000  0.7802  1.0
  In  In2  2  0.0000  0.0000  0.3331  1.0
  In  In3  2  0.0000  0.0000  0.6668  1.0
  In  In4  2  0.0000  0.0000  0.9987  1.0
  In  In5  2  0.5000  0.0000  0.4453  1.0
]