data_[Ce4Pr2Ni4B4P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1071]
_cell_length_b [4.1071]
_cell_length_c [21.8641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce2PrNi2B2P3]
_chemical_formula_sum '[Ce4 Pr2 Ni4 B4 P6]'
_cell_volume [368.8116]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.3595  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.0000  0.5000  0.2500  1
  B  B3  4  0.0000  0.0000  0.2200  1
  P  P4  4  0.0000  0.0000  0.1314  1
  P  P5  2  0.0000  0.0000  0.5000  1
]