data_Na(TeMo)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na(TeMo)3
_chemical_formula_sum   'Na2 Te6 Mo6'
_cell_volume   347.82
_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  Na6  1  0.0  0.38  0.16  1.0
  Na  Na7  1  0.66  0.69  0.47  1.0
  Te  Te8  1  0.14  0.43  0.16  1.0
  Te  Te9  1  0.65  0.96  0.16  1.0
  Te  Te10  1  0.2  0.68  0.16  1.0
  Te  Te11  1  0.46  0.39  0.47  1.0
  Te  Te12  1  0.01  0.11  0.47  1.0
  Te  Te13  1  0.53  0.64  0.47  1.0
  Mo  Mo0  1  0.16  0.73  0.16  1.0
  Mo  Mo1  1  0.46  0.47  0.16  1.0
  Mo  Mo2  1  0.38  0.95  0.16  1.0
  Mo  Mo3  1  0.28  0.13  0.47  1.0
  Mo  Mo4  1  0.21  0.61  0.47  1.0
  Mo  Mo5  1  0.5  0.34  0.47  1.0

data_Na(TeMo)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.62
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na(TeMo)3
_chemical_formula_sum   'Na2 Te6 Mo6'
_cell_volume   347.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.33  0.65  1.0
  Te  Te1  2  0.16  0.13  0.36  1.0
  Te  Te2  2  0.16  0.2  0.61  1.0
  Te  Te3  2  0.16  0.68  0.07  1.0
  Mo  Mo4  2  0.16  0.17  0.3  1.0
  Mo  Mo5  2  0.16  0.88  0.57  1.0
  Mo  Mo6  2  0.16  0.95  0.09  1.0

Na Na Te Te Te Te Te Te Mo Mo Mo Mo Mo Mo
Na Na Te Te Te Te Te Te Mo Mo Mo Mo Mo Mo 0 2 o o o 0 6 o o o 1 7 o o o 1 3 o o o 2 6 o o o 3 10 o o o 3 7 o o o 4 8 o o o 4 10 o o o 4 12 o o o 5 13 o o o 5 9 o o o 5 11 o o o 6 11 o o o 8 10 o o o 11 13 o o o 