data_[Sc4Zn4In4]
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 [C2/m]
_cell_length_a [11.0210]
_cell_length_b [4.3952]
_cell_length_c [6.0250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScZnIn]
_chemical_formula_sum '[Sc4 Zn4 In4]'
_cell_volume [246.3938]
_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
[
  Sc  Sc0  4  0.1816  0.0000  0.6243  1.0
  Zn  Zn1  4  0.1468  0.0000  0.0919  1.0
  In  In2  4  0.0153  0.5000  0.7614  1.0
]