data_[Pr4Tm4Ni12]
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 [Cmcm]
_cell_length_a [3.9448]
_cell_length_b [24.0908]
_cell_length_c [4.0020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrTmNi3]
_chemical_formula_sum '[Pr4 Tm4 Ni12]'
_cell_volume [380.3264]
_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  0.0000  0.0733  0.7500  1
  Tm  Tm1  4  0.0000  0.2054  0.2500  1
  Ni  Ni2  4  0.0000  0.3218  0.2500  1
  Ni  Ni3  4  0.0000  0.3758  0.7500  1
  Ni  Ni4  4  0.0000  0.4741  0.7500  1
]