data_CuBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   147.64
_cell_angle_beta   135.27
_cell_angle_gamma   56.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiTe2
_chemical_formula_sum   'Cu1 Bi1 Te2'
_cell_volume   116.63
_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
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.98  1.0
  Te  Te2  1  0.0  0.58  0.09  1.0
  Te  Te3  1  0.89  0.0  0.89  1.0

data_CuBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.16
_cell_length_c   6.78
_cell_angle_alpha   112.37
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiTe2
_chemical_formula_sum   'Cu1 Bi1 Te2'
_cell_volume   116.63
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.98  0.98  1.0
  Te  Te2  1  0.0  0.89  1.0  1.0
  Te  Te3  1  0.42  0.51  0.51  1.0

Cu Bi Te Te