data_[Sc4Ga4Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2633]
_cell_length_b [4.1668]
_cell_length_c [12.8324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sc2Ga2Ni]
_chemical_formula_sum '[Sc4 Ga4 Ni2]'
_cell_volume [174.4928]
_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  2  0.0000  0.0000  0.6854  1
  Sc  Sc1  2  0.0000  0.0000  0.9365  1
  Ga  Ga2  2  0.5000  0.0000  0.3031  1
  Ga  Ga3  2  0.5000  0.0000  0.5087  1
  Ni  Ni4  2  0.5000  0.0000  0.1084  1
]