data_[Tb4Tm12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8079]
_cell_length_b [7.0540]
_cell_length_c [9.7778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TbTm3Ni]
_chemical_formula_sum '[Tb4 Tm12 Ni4]'
_cell_volume [514.7579]
_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  0.3148  0.0406  0.7413  1.0
  Tm  Tm1  4  0.0855  0.1297  0.3942  1.0
  Tm  Tm2  4  0.2167  0.5102  0.6211  1.0
  Tm  Tm3  4  0.4330  0.7085  0.9732  1.0
  Ni  Ni4  4  0.0636  0.7405  0.3931  1.0
]