data_NaTa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   6.43
_cell_angle_alpha   97.87
_cell_angle_beta   97.87
_cell_angle_gamma   38.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Te
_chemical_formula_sum   'Na1 Ta2 Te1'
_cell_volume   95.37
_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  0.7  0.0  0.59  1.0
  Ta  Ta1  1  0.17  0.0  0.87  1.0
  Ta  Ta2  1  0.59  0.0  0.91  1.0
  Te  Te3  1  0.22  0.0  0.53  1.0

data_NaTa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.88
_cell_length_c   6.43
_cell_angle_alpha   97.87
_cell_angle_beta   90.0
_cell_angle_gamma   109.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Te
_chemical_formula_sum   'Na1 Ta2 Te1'
_cell_volume   95.37
_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  0.3  0.41  1.0
  Ta  Ta1  1  0.0  0.41  0.09  1.0
  Ta  Ta2  1  0.0  0.83  0.13  1.0
  Te  Te3  1  0.0  0.78  0.47  1.0

Na Ta Ta Te
Na Ta Ta Te 0 3 o o o 0 3 + o o 0 2 o o o 1 3 o o o 1 2 o o o 