data_[Sc4Cd5Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5969]
_cell_length_b [3.3560]
_cell_length_c [9.3401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Cd5Ga2]
_chemical_formula_sum '[Sc4 Cd5 Ga2]'
_cell_volume [237.3325]
_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  2  0.1714  0.5000  0.8666  1.0
  Sc  Sc1  2  0.2469  0.5000  0.4347  1.0
  Cd  Cd2  2  0.1716  0.0000  0.1479  1.0
  Cd  Cd3  2  0.4487  0.0000  0.6835  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Ga  Ga5  2  0.0662  0.0000  0.6308  1.0
]