data_[Er9Mn6Fe21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0306]
_cell_length_b [5.0306]
_cell_length_c [24.1116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er3Mn2Fe7]
_chemical_formula_sum '[Er9 Mn6 Fe21]'
_cell_volume [528.4373]
_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
[
  Er  Er0  6  0.0000  0.0000  0.1413  1
  Er  Er1  3  0.0000  0.0000  0.0000  1
  Mn  Mn2  6  0.0000  0.0000  0.3328  1
  Fe  Fe3  18  0.0004  0.5002  0.9188  1
  Fe  Fe4  3  -0.0000  -0.0000  0.5000  1
]