data_[Sc4Tl2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.0049]
_cell_length_b [3.4519]
_cell_length_c [9.9077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Sc2TlGa]
_chemical_formula_sum '[Sc4 Tl2 Ga2]'
_cell_volume [171.1690]
_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  0.2500  0.0000  0.1152  1.0
  Sc  Sc1  2  0.2500  0.0000  0.6460  1.0
  Tl  Tl2  2  0.2500  0.5000  0.3797  1.0
  Ga  Ga3  2  0.2500  0.5000  0.8801  1.0
]