data_[Mg2Ti10In4]
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 [4.7787]
_cell_length_b [5.9599]
_cell_length_c [10.3440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgTi5In2]
_chemical_formula_sum '[Mg2 Ti10 In4]'
_cell_volume [294.6018]
_cell_formula_units_Z [2]
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  0.8335  1
  Ti  Ti1  4  0.0000  0.2435  0.4233  1
  Ti  Ti2  4  0.5000  0.2386  0.0812  1
  Ti  Ti3  2  0.0000  0.0000  0.1564  1
  In  In4  2  0.0000  0.0000  0.6685  1
  In  In5  2  0.5000  0.0000  0.3326  1
]