data_CsCu3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCu3O2
_chemical_formula_sum   'Cs1 Cu3 O2'
_cell_volume   130.64
_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
  Cs  Cs0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.3  0.25  0.8  1.0
  Cu  Cu2  1  0.7  0.25  0.8  1.0
  Cu  Cu3  1  0.6  0.0  0.8  1.0
  O  O4  1  0.6  0.5  0.7  1.0
  O  O5  1  0.0  1.0  0.89  1.0

data_CsCu3O2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCu3O2
_chemical_formula_sum   'Cs1 Cu3 O2'
_cell_volume   130.64
_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
  Cs  Cs0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.3  0.25  0.8  1.0
  Cu  Cu2  1  0.6  0.0  0.8  1.0
  Cu  Cu3  1  0.7  0.25  0.8  1.0
  O  O4  1  -0.0  1.0  0.89  1.0
  O  O5  1  0.6  0.5  0.7  1.0

Cs Cu Cu Cu O O
Cs Cu Cu Cu O O 0 5 o - - 0 1 o o - 1 5 o - o 1 4 o o o 2 3 o o o 2 4 o o o 