data_[Sc10Ti2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1381]
_cell_length_b [6.3732]
_cell_length_c [10.8708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc5TiIn2]
_chemical_formula_sum '[Sc10 Ti2 In4]'
_cell_volume [355.9732]
_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
[
  Sc  Sc0  4  0.0000  0.2457  0.4136  1
  Sc  Sc1  4  0.5000  0.2473  0.0886  1
  Sc  Sc2  2  0.5000  0.0000  0.8332  1
  Ti  Ti3  2  0.0000  0.0000  0.1623  1
  In  In4  2  0.0000  0.0000  0.6662  1
  In  In5  2  0.5000  0.0000  0.3340  1
]