data_[Tb4Ga4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7317]
_cell_length_b [4.1889]
_cell_length_c [6.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbGaNi]
_chemical_formula_sum '[Tb4 Ga4 Ni4]'
_cell_volume [217.1234]
_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  0.0574  0.5000  0.8127  1.0
  Ga  Ga1  4  0.1758  0.0000  0.5981  1.0
  Ni  Ni2  4  0.1565  0.0000  0.2016  1.0
]