data_InTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.21
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2As
_chemical_formula_sum   'In1 Te2 As1'
_cell_volume   116.31
_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
  In  In1  1  0.62  0.0  0.25  1.0
  Te  Te2  1  0.0  0.11  0.51  1.0
  Te  Te3  1  0.0  0.11  1.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_InTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.21
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2As
_chemical_formula_sum   'In1 Te2 As1'
_cell_volume   116.31
_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
  In  In0  1  0.62  0.0  0.25  1.0
  Te  Te1  1  -0.0  0.11  0.51  1.0
  Te  Te2  1  -0.0  0.11  1.0  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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