data_Na2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78
_cell_length_b   9.78
_cell_length_c   9.78
_cell_angle_alpha   20.49
_cell_angle_beta   20.49
_cell_angle_gamma   20.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TeAs
_chemical_formula_sum   'Na2 Te1 As1'
_cell_volume   100.37
_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  Na1  1  0.0  0.0  0.34  1.0
  Na  Na2  1  0.0  0.0  0.37  1.0
  Te  Te3  1  0.0  0.0  0.36  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2TeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.03
_cell_length_b   3.48
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2TeAs
_chemical_formula_sum   'Na4 Te2 As2'
_cell_volume   200.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.63  1.0
  Na  Na1  2  0.0  0.0  0.66  1.0
  Te  Te2  2  0.0  0.0  0.64  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Na Na Te As