data_Na2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   4.77
_cell_angle_alpha   108.55
_cell_angle_beta   108.55
_cell_angle_gamma   36.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TeAs
_chemical_formula_sum   'Na2 Te1 As1'
_cell_volume   108.82
_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  0.78  0.0  0.47  1.0
  Na  Na2  1  0.56  0.0  0.62  1.0
  Te  Te3  1  0.97  0.0  0.72  1.0
  As  As0  1  0.38  0.0  0.93  1.0

data_Na2TeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.77
_cell_length_c   6.35
_cell_angle_alpha   108.55
_cell_angle_beta   108.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TeAs
_chemical_formula_sum   'Na2 Te1 As1'
_cell_volume   108.82
_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  0.47  0.78  1.0
  Na  Na1  1  0.0  0.62  0.56  1.0
  Te  Te2  1  0.0  0.72  0.97  1.0
  As  As3  1  0.0  0.93  0.38  1.0

Na Na Te As