data_NaCuTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCuTe
_chemical_formula_sum   'Na2 Cu2 Te2'
_cell_volume   137.47
_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
  Na  Na0  1  0.2  0.0  0.81  1.0
  Na  Na1  1  0.0  0.2  0.32  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.2  0.2  0.0  1.0
  Te  Te4  1  0.2  0.0  0.59  1.0
  Te  Te5  1  0.0  0.2  0.54  1.0

data_NaCuTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCuTe
_chemical_formula_sum   'Na4 Cu4 Te4'
_cell_volume   274.94
_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
  Na  Na0  2  0.0  0.0  0.32  1.0
  Na  Na1  2  0.2  0.0  0.81  1.0
  Cu  Cu2  4  0.1  0.1  0.0  1.0
  Te  Te3  2  0.0  0.0  0.54  1.0
  Te  Te4  2  0.2  0.0  0.59  1.0

Na Na Cu Cu Te Te
Na Na Cu Cu Te Te 0 2 o o + 0 4 o o o 0 3 o o + 1 5 o o o 2 3 o o o 4 5 o o o 