data_[Mg8Ti4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9591]
_cell_length_b [6.2076]
_cell_length_c [10.6341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg2TiIn]
_chemical_formula_sum '[Mg8 Ti4 In4]'
_cell_volume [327.3624]
_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  0.5000  0.2458  0.9183  1
  Mg  Mg1  2  0.0000  0.0000  0.8409  1
  Mg  Mg2  2  0.5000  0.0000  0.1575  1
  Ti  Ti3  4  0.0000  0.2396  0.5873  1
  In  In4  2  0.0000  0.0000  0.3340  1
  In  In5  2  0.5000  0.0000  0.6564  1
]