data_[Lu2Cu4Sb4Se4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7738]
_cell_length_b [3.7738]
_cell_length_c [24.7437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [LuCu2Sb2(SeO2)2]
_chemical_formula_sum '[Lu2 Cu4 Sb4 Se4 O8]'
_cell_volume [352.3924]
_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
  Cu  Cu1  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb2  4  0.0000  0.0000  0.4021  1.0
  Se  Se3  4  0.0000  0.0000  0.1864  1.0
  O  O4  8  0.0000  0.5000  0.0550  1.0
]