data_[Sc4Ga10Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.2327]
_cell_length_b [6.2327]
_cell_length_c [7.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sc2Ga5Mo]
_chemical_formula_sum '[Sc4 Ga10 Mo2]'
_cell_volume [272.8934]
_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  0.5000  0.2310  1.0
  Ga  Ga1  8  0.2118  0.2118  0.4759  1.0
  Ga  Ga2  2  0.0000  0.0000  0.7695  1.0
  Mo  Mo3  2  0.0000  0.0000  0.1428  1.0
]