data_[Er3Pa1Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0478]
_cell_length_b [5.0478]
_cell_length_c [8.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Er3PaNi8]
_chemical_formula_sum '[Er3 Pa1 Ni8]'
_cell_volume [182.0788]
_cell_formula_units_Z [1]
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
[
  Er  Er0  1  0.0000  0.0000  0.9430  1
  Er  Er1  1  0.6667  0.3333  0.0626  1
  Er  Er2  1  0.6667  0.3333  0.4330  1
  Pa  Pa3  1  0.0000  0.0000  0.5602  1
  Ni  Ni4  3  0.0009  0.5005  0.7470  1
  Ni  Ni5  3  0.1682  0.3363  0.2537  1
  Ni  Ni6  1  0.3333  0.6667  0.5013  1
  Ni  Ni7  1  0.3333  0.6667  0.9979  1
]