data_[Lu2Cr4Fe20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6704]
_cell_length_b [8.3011]
_cell_length_c [8.3933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Lu(CrFe5)2]
_chemical_formula_sum '[Lu2 Cr4 Fe20]'
_cell_volume [325.4075]
_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
[
  Lu  Lu0  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr1  4  0.0000  0.0000  0.3676  1.0
  Fe  Fe2  8  0.2500  0.2500  0.2500  1.0
  Fe  Fe3  4  0.0000  0.2773  0.5000  1.0
  Fe  Fe4  4  0.0000  0.3584  0.0000  1.0
  Fe  Fe5  4  0.0000  0.5000  0.2739  1.0
]