data_[Pr4Ni12P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3997]
_cell_length_b [3.7970]
_cell_length_c [6.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNi3P2]
_chemical_formula_sum '[Pr4 Ni12 P8]'
_cell_volume [346.4571]
_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  0.1539  0.0000  0.0693  1.0
  Ni  Ni1  4  0.0416  0.0000  0.3681  1.0
  Ni  Ni2  4  0.0939  0.5000  0.6742  1.0
  Ni  Ni3  4  0.1838  0.5000  0.4404  1.0
  P  P4  4  0.0205  0.5000  0.1849  1.0
  P  P5  4  0.1852  0.0000  0.6625  1.0
]