data_[Lu12Cu4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5089]
_cell_length_b [11.7507]
_cell_length_c [9.0789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Lu3CuO]
_chemical_formula_sum '[Lu12 Cu4 O4]'
_cell_volume [374.3462]
_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
[
  Lu  Lu0  8  0.0000  0.1313  0.0616  1.0
  Lu  Lu1  4  0.0000  0.4386  0.2500  1.0
  Cu  Cu2  4  0.0000  0.2489  0.7500  1.0
  O  O3  4  0.0000  0.5000  0.0000  1.0
]