data_[Sc10Ga8]
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 [P2_1/c]
_cell_length_a [7.3985]
_cell_length_b [7.4519]
_cell_length_c [7.0166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sc5Ga4]
_chemical_formula_sum '[Sc10 Ga8]'
_cell_volume [368.4861]
_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  4  0.1929  0.1833  0.0712  1
  Sc  Sc1  4  0.2441  0.6763  0.2480  1
  Sc  Sc2  2  0.5000  0.0000  0.5000  1
  Ga  Ga3  4  0.0804  0.5282  0.8558  1
  Ga  Ga4  4  0.4858  0.1276  0.8724  1
]