data_[Sc4Ti4Ga14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8941]
_cell_length_b [9.3959]
_cell_length_c [6.0509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc2Ti2Ga7]
_chemical_formula_sum '[Sc4 Ti4 Ga14]'
_cell_volume [448.8055]
_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  0.1829  0.0000  0.5000  1
  Ti  Ti1  4  0.0000  0.2862  0.0000  1
  Ga  Ga2  8  0.2500  0.2500  0.2783  1
  Ga  Ga3  4  0.0000  0.5000  0.2889  1
  Ga  Ga4  2  0.0000  0.0000  0.0000  1
]