data_[Pr6Ni12P10]
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 [Pmmn]
_cell_length_a [3.8640]
_cell_length_b [11.7870]
_cell_length_c [9.6635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr3Ni6P5]
_chemical_formula_sum '[Pr6 Ni12 P10]'
_cell_volume [440.1187]
_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  0.0000  0.3418  0.7469  1
  Pr  Pr1  2  0.0000  0.0000  0.7495  1
  Ni  Ni2  4  0.0000  0.1719  0.9923  1
  Ni  Ni3  4  0.0000  0.3144  0.3900  1
  Ni  Ni4  2  0.0000  0.5000  0.0131  1
  Ni  Ni5  2  0.0000  0.5000  0.5039  1
  P  P6  4  0.0000  0.1337  0.4923  1
  P  P7  4  0.0000  0.3283  0.1403  1
  P  P8  2  0.0000  0.0000  0.1074  1
]