data_[Sc16Ga4]
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
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.7472]
_cell_length_b [6.1046]
_cell_length_c [14.9599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Sc4Ga]
_chemical_formula_sum '[Sc16 Ga4]'
_cell_volume [433.5303]
_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  8  0.0000  0.0055  0.3034  1
  Sc  Sc1  4  0.0000  0.0000  0.5000  1
  Sc  Sc2  4  0.0000  0.2500  0.8972  1
  Ga  Ga3  4  0.0000  0.2500  0.1138  1
]