data_[Er4Pa4N12]
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 [C2/m]
_cell_length_a [13.3145]
_cell_length_b [3.9170]
_cell_length_c [6.5903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErPaN3]
_chemical_formula_sum '[Er4 Pa4 N12]'
_cell_volume [323.5499]
_cell_formula_units_Z [4]
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  0.1479  0.5000  0.3328  1
  Pa  Pa1  4  0.1330  0.0000  0.8539  1
  N  N2  4  0.0357  0.0000  0.1101  1
  N  N3  4  0.1680  0.0000  0.5519  1
  N  N4  4  0.1814  0.5000  0.0090  1
]