data_In2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.95
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TeAs
_chemical_formula_sum   'In2 Te1 As1'
_cell_volume   107.11
_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  0.64  0.48  0.55  1.0
  In  In2  1  0.64  0.48  0.04  1.0
  Te  Te3  1  0.0  0.0  0.29  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_In2TeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.95
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TeAs
_chemical_formula_sum   'In2 Te1 As1'
_cell_volume   107.11
_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  0.64  0.48  0.04  1.0
  In  In1  1  0.64  0.48  0.55  1.0
  Te  Te2  1  0.0  0.0  0.29  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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