data_[Tb4Sc4Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0143]
_cell_length_b [25.0941]
_cell_length_c [4.1267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbScGa3]
_chemical_formula_sum '[Tb4 Sc4 Ga12]'
_cell_volume [415.7010]
_cell_formula_units_Z [4]
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
[
  Tb  Tb0  4  0.0000  0.0751  0.7500  1
  Sc  Sc1  4  0.0000  0.2055  0.2500  1
  Ga  Ga2  4  0.0000  0.3184  0.2500  1
  Ga  Ga3  4  0.0000  0.3766  0.7500  1
  Ga  Ga4  4  0.0000  0.4748  0.7500  1
]