data_[Nd4Tm12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [7.9462]
_cell_length_b [7.2310]
_cell_length_c [9.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NdTm3Ni]
_chemical_formula_sum '[Nd4 Tm12 Ni4]'
_cell_volume [540.4129]
_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
[
  Nd  Nd0  4  0.3195  0.0436  0.7429  1.0
  Tm  Tm1  4  0.0814  0.1294  0.3909  1.0
  Tm  Tm2  4  0.2122  0.5097  0.6168  1.0
  Tm  Tm3  4  0.4272  0.7058  0.9696  1.0
  Ni  Ni4  4  0.0632  0.7449  0.3964  1.0
]