data_NaTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.48
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   59.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTe2Os
_chemical_formula_sum   'Na1 Te2 Os1'
_cell_volume   102.81
_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  Te2  1  0.08  0.0  0.9  1.0
  Te  Te3  1  0.78  0.0  0.24  1.0
  Os  Os1  1  0.43  0.0  0.57  1.0

data_NaTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.09
_cell_length_c   7.48
_cell_angle_alpha   105.12
_cell_angle_beta   90.0
_cell_angle_gamma   119.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTe2Os
_chemical_formula_sum   'Na1 Te2 Os1'
_cell_volume   102.81
_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  0.22  0.76  1.0
  Te  Te2  1  0.0  0.92  0.1  1.0
  Os  Os3  1  0.0  0.57  0.43  1.0

Na Te Te Os
Na Te Te Os 0 1 o o - 0 2 - o o 0 3 - o - 1 3 o o o 1 3 - o o 2 3 + o o 2 3 o o o 