data_[U6Ni18P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.7643]
_cell_length_b [10.4734]
_cell_length_c [12.3723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [UNi3P2]
_chemical_formula_sum '[U6 Ni18 P12]'
_cell_volume [487.7833]
_cell_formula_units_Z [6]
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
[
  U  U0  4  0.0000  0.3163  0.7946  1
  U  U1  2  0.0000  0.5000  0.5220  1
  Ni  Ni2  4  0.0000  0.1689  0.0019  1
  Ni  Ni3  4  0.0000  0.1981  0.5710  1
  Ni  Ni4  4  0.0000  0.3792  0.2938  1
  Ni  Ni5  2  0.0000  0.0000  0.2997  1
  Ni  Ni6  2  0.0000  0.0000  0.8399  1
  Ni  Ni7  2  0.0000  0.5000  0.9858  1
  P  P8  4  0.0000  0.1876  0.3866  1
  P  P9  4  0.0000  0.3470  0.1095  1
  P  P10  2  0.0000  0.0000  0.1202  1
  P  P11  2  0.0000  0.0000  0.6566  1
]