data_[Pr4Tm6Ni4]
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 [C2/m]
_cell_length_a [12.3783]
_cell_length_b [3.5941]
_cell_length_c [9.0535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Tm3Ni2]
_chemical_formula_sum '[Pr4 Tm6 Ni4]'
_cell_volume [356.5411]
_cell_formula_units_Z [2]
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  0.1632  0.0000  0.8091  1
  Tm  Tm1  4  0.1183  0.5000  0.4335  1
  Tm  Tm2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  4  0.1661  0.0000  0.2421  1
]