data_[Er16Fe4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6511]
_cell_length_b [13.0062]
_cell_length_c [5.9435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4FeSb]
_chemical_formula_sum '[Er16 Fe4 Sb4]'
_cell_volume [620.2683]
_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  8  0.1075  0.1644  0.0603  1.0
  Er  Er1  8  0.2218  0.4282  0.3590  1.0
  Fe  Fe2  4  0.0000  0.0004  0.7500  1.0
  Sb  Sb3  4  0.0000  0.3727  0.7500  1.0
]