data_CuBiTeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiTeO
_chemical_formula_sum   'Cu2 Bi2 Te2 O2'
_cell_volume   158.72
_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
  Cu  Cu0  1  0.0  0.0  0.81  1.0
  Cu  Cu1  1  0.03  0.03  0.81  1.0
  Bi  Bi2  1  0.0  0.03  0.4  1.0
  Bi  Bi3  1  0.03  0.0  0.22  1.0
  Te  Te4  1  0.0  0.03  0.08  1.0
  Te  Te5  1  0.03  0.0  0.55  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.03  0.03  0.0  1.0

data_CuBiTeO
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   9.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuBiTeO
_chemical_formula_sum   'Cu4 Bi4 Te4 O4'
_cell_volume   317.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  4  0.02  0.02  0.81  1.0
  Bi  Bi1  2  0.0  0.0  0.4  1.0
  Bi  Bi2  2  0.03  0.0  0.22  1.0
  Te  Te3  2  0.0  0.0  0.08  1.0
  Te  Te4  2  0.03  0.0  0.55  1.0
  O  O5  4  0.02  0.02  0.0  1.0

Cu Cu Bi Bi Te Te O O
Cu Cu Bi Bi Te Te O O 0 1 o o o 2 3 o o o 2 5 o o o 3 4 o o o 4 6 o o o 4 7 o o o 6 7 o o o 