data_SnTeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeAs2
_chemical_formula_sum   'Sn1 Te1 As2'
_cell_volume   103.91
_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  Sn2  1  0.0  0.0  0.39  1.0
  Te  Te3  1  0.81  0.0  0.71  1.0
  As  As0  1  0.0  0.0  0.19  1.0
  As  As1  1  0.81  0.0  0.43  1.0

data_SnTeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnTeAs2
_chemical_formula_sum   'Sn1 Te1 As2'
_cell_volume   103.91
_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  0.0  0.0  0.39  1.0
  Te  Te1  1  0.81  0.0  0.71  1.0
  As  As2  1  0.0  0.0  0.19  1.0
  As  As3  1  0.81  0.0  0.43  1.0

Sn Te As As
Sn Te As As 0 3 - o o 0 1 - o o 0 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 