data_[Pr4Y12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6988]
_cell_length_b [8.4061]
_cell_length_c [8.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY3Ni]
_chemical_formula_sum '[Pr4 Y12 Ni4]'
_cell_volume [593.7082]
_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  0.0417  0.0000  0.3207  1.0
  Y  Y1  8  0.2384  0.2975  0.7784  1.0
  Y  Y2  4  0.0564  0.5000  0.2628  1.0
  Ni  Ni3  4  0.2379  0.5000  0.0956  1.0
]