data_NaCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   26.78
_cell_angle_beta   26.78
_cell_angle_gamma   26.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuTe2
_chemical_formula_sum   'Na1 Cu1 Te2'
_cell_volume   101.03
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.95  1.0
  Te  Te2  1  0.0  0.0  0.32  1.0
  Te  Te3  1  0.0  0.0  0.57  1.0

data_NaCuTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.63
_cell_length_b   3.83
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCuTe2
_chemical_formula_sum   'Na2 Cu2 Te4'
_cell_volume   202.06
_cell_formula_units_Z   2
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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  -0.0  0.0  0.05  1.0
  Te  Te2  2  -0.0  0.0  0.68  1.0
  Te  Te3  2  -0.0  0.0  0.43  1.0

Na Cu Te Te