data_[La1Lu1Cu2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Lu  1.2700  1.7500  1.0010
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8625]
_cell_length_b [3.8625]
_cell_length_c [8.3841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaLuCu2(SO)2]
_chemical_formula_sum '[La1 Lu1 Cu2 S2 O2]'
_cell_volume [125.0786]
_cell_formula_units_Z [1]
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
[
  La  La0  1  0.0000  0.0000  0.1465  1
  Lu  Lu1  1  0.5000  0.5000  0.8656  1
  Cu  Cu2  2  0.0000  0.5000  0.5070  1
  S  S3  1  0.0000  0.0000  0.6705  1
  S  S4  1  0.5000  0.5000  0.3320  1
  O  O5  2  0.0000  0.5000  0.9857  1
]