data_[Pr4Tm12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [9.2198]
_cell_length_b [6.1883]
_cell_length_c [9.9387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PrTm3Ni]
_chemical_formula_sum '[Pr4 Tm12 Ni4]'
_cell_volume [559.7189]
_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
[
  Pr  Pr0  4  0.4098  0.0632  0.8156  1.0
  Tm  Tm1  4  0.0288  0.6229  0.1566  1.0
  Tm  Tm2  4  0.2236  0.0890  0.0952  1.0
  Tm  Tm3  4  0.3196  0.5915  0.9501  1.0
  Ni  Ni4  4  0.0640  0.6771  0.4230  1.0
]