data_NaTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.52
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeCl2
_chemical_formula_sum   'Na1 Te1 Cl2'
_cell_volume   116.11
_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  Na2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.44  0.0  0.61  1.0
  Cl  Cl0  1  0.56  0.26  0.84  1.0
  Cl  Cl1  1  0.31  0.26  0.38  1.0

data_NaTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.93
_cell_length_c   5.21
_cell_angle_alpha   90.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTeCl2
_chemical_formula_sum   'Na1 Te1 Cl2'
_cell_volume   116.11
_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  Na0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.56  0.39  1.0
  Cl  Cl2  1  0.74  0.44  0.16  1.0
  Cl  Cl3  1  0.74  0.69  0.62  1.0

Na Te Cl Cl
Na Te Cl Cl 0 2 - o - 0 2 o o - 0 1 o o - 0 3 o o o 1 3 o o o 1 2 o o o 