data_[Sc4Ga4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [9.1544]
_cell_length_b [9.1544]
_cell_length_c [4.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [84]
_chemical_formula_structural [ScGaBi]
_chemical_formula_sum '[Sc4 Ga4 Bi4]'
_cell_volume [346.3932]
_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  0.3046  0.4890  0.5000  1
  Ga  Ga1  4  0.1914  0.3003  0.0000  1
  Bi  Bi2  4  0.1231  0.6796  0.0000  1
]