data_[Er6Pa2N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8972]
_cell_length_b [9.7001]
_cell_length_c [3.4593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er3PaN4]
_chemical_formula_sum '[Er6 Pa2 N8]'
_cell_volume [231.4388]
_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
[
  Er  Er0  4  0.2500  0.2500  0.0000  1
  Er  Er1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.5000  1
  N  N3  4  0.0000  0.2428  0.5000  1
  N  N4  4  0.2459  0.0000  0.0000  1
]