data_[In4Te1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.0910]
_cell_length_b [6.6039]
_cell_length_c [18.1144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In4TeAs2]
_chemical_formula_sum '[In4 Te1 As2]'
_cell_volume [848.2736]
_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  2  0.4754  0.2698  0.5047  1
  In  In1  1  0.0249  0.0000  0.4462  1
  In  In2  1  0.0756  0.5000  0.5811  1
  Te  Te3  1  0.2072  0.5000  0.4092  1
  As  As4  1  0.2863  0.0000  0.5772  1
  As  As5  1  0.7700  0.5000  0.4769  1
]