data_[Sc4In1Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7040]
_cell_length_b [4.1814]
_cell_length_c [10.8051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sc4InGa3]
_chemical_formula_sum '[Sc4 In1 Ga3]'
_cell_volume [167.3476]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1621  1.0
  Sc  Sc1  1  0.0000  0.5000  0.8415  1.0
  Sc  Sc2  1  0.5000  0.0000  0.6453  1.0
  Sc  Sc3  1  0.5000  0.5000  0.3601  1.0
  In  In4  1  0.5000  0.5000  0.0758  1.0
  Ga  Ga5  1  0.0000  0.0000  0.4251  1.0
  Ga  Ga6  1  0.0000  0.5000  0.5786  1.0
  Ga  Ga7  1  0.5000  0.0000  0.9115  1.0
]