data_[Sm3Zr12Pa3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.6296]
_cell_length_b [6.6296]
_cell_length_c [16.4534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmZr4PaN8]
_chemical_formula_sum '[Sm3 Zr12 Pa3 N24]'
_cell_volume [626.2618]
_cell_formula_units_Z [3]
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
[
  Sm  Sm0  3  0.0000  0.0000  0.0008  1
  Zr  Zr1  9  0.0008  0.5004  0.4987  1
  Zr  Zr2  3  0.0000  0.0000  0.3772  1
  Pa  Pa3  3  0.0000  0.0000  0.6163  1
  N  N4  9  0.0051  0.5025  0.7609  1
  N  N5  9  0.1772  0.3544  0.5750  1
  N  N6  3  0.0000  0.0000  0.2440  1
  N  N7  3  0.0000  0.0000  0.7578  1
]