data_NaTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   7.47
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   59.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTe2Ir
_chemical_formula_sum   'Na1 Te2 Ir1'
_cell_volume   103.42
_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
  Te  Te2  1  0.09  0.0  0.88  1.0
  Te  Te3  1  0.83  0.0  0.26  1.0
  Ir  Ir0  1  0.46  0.0  0.57  1.0

data_NaTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.1
_cell_length_c   7.47
_cell_angle_alpha   104.83
_cell_angle_beta   90.0
_cell_angle_gamma   119.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTe2Ir
_chemical_formula_sum   'Na1 Te2 Ir1'
_cell_volume   103.42
_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  0.17  0.74  1.0
  Te  Te2  1  0.0  0.91  0.12  1.0
  Ir  Ir3  1  0.0  0.54  0.43  1.0

Na Te Te Ir