data_[Sc14Ga10Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6139]
_cell_length_b [10.0068]
_cell_length_c [9.6584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sc7Ga5Sn]
_chemical_formula_sum '[Sc14 Ga10 Sn2]'
_cell_volume [542.5817]
_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  0.0000  0.3260  0.9889  1
  Sc  Sc1  4  0.0000  0.3359  0.4654  1
  Sc  Sc2  2  0.0000  0.0000  0.3939  1
  Sc  Sc3  2  0.0000  0.0000  0.7551  1
  Sc  Sc4  2  0.0000  0.5000  0.7239  1
  Ga  Ga5  8  0.2479  0.2593  0.7335  1
  Ga  Ga6  2  0.0000  0.5000  0.2196  1
  Sn  Sn7  2  0.0000  0.0000  0.0653  1
]