data_CuTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTe2Ir
_chemical_formula_sum   'Cu1 Te2 Ir1'
_cell_volume   78.02
_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
  Te  Te2  1  0.54  0.16  0.73  1.0
  Te  Te3  1  0.54  0.84  0.73  1.0
  Ir  Ir1  1  0.08  0.0  0.0  1.0

data_CuTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   100.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTe2Ir
_chemical_formula_sum   'Cu1 Te2 Ir1'
_cell_volume   78.02
_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
  Te  Te1  1  0.73  0.54  0.16  1.0
  Te  Te2  1  0.73  0.54  0.84  1.0
  Ir  Ir3  1  0.0  0.08  0.0  1.0

Cu Te Te Ir
Cu Te Te Ir 0 3 o o o 1 2 o - o 