data_[Er6Pa4Fe8]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4245]
_cell_length_b [3.6490]
_cell_length_c [8.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(PaFe2)2]
_chemical_formula_sum '[Er6 Pa4 Fe8]'
_cell_volume [355.7955]
_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  0.0980  0.5000  0.7078  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  4  0.1827  0.5000  0.3151  1
  Fe  Fe3  4  0.0925  0.0000  0.4216  1
  Fe  Fe4  4  0.2134  0.5000  0.0695  1
]