data_SnTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.53
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   111.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2As
_chemical_formula_sum   'Sn1 Te2 As1'
_cell_volume   122.75
_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
  Sn  Sn1  1  0.83  0.26  0.36  1.0
  Te  Te2  1  0.95  0.0  0.44  1.0
  Te  Te3  1  0.88  0.26  0.9  1.0
  As  As0  1  0.21  0.0  0.78  1.0

data_SnTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.79
_cell_length_c   6.07
_cell_angle_alpha   111.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTe2As
_chemical_formula_sum   'Sn1 Te2 As1'
_cell_volume   122.75
_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
  Sn  Sn0  1  0.74  0.17  0.64  1.0
  Te  Te1  1  0.0  0.05  0.56  1.0
  Te  Te2  1  0.74  0.12  0.1  1.0
  As  As3  1  0.0  0.79  0.22  1.0

Sn Te Te As