data_[Sc4Zn2In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1676]
_cell_length_b [6.3398]
_cell_length_c [10.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc2ZnIn5]
_chemical_formula_sum '[Sc4 Zn2 In10]'
_cell_volume [356.0707]
_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  2  0.0000  0.0000  0.3342  1
  Sc  Sc1  2  0.5000  0.0000  0.6693  1
  Zn  Zn2  2  0.0000  0.0000  0.8328  1
  In  In3  4  0.0000  0.2499  0.0836  1
  In  In4  4  0.5000  0.2428  0.9148  1
  In  In5  2  0.5000  0.0000  0.1669  1
]