data_[In4Te12As4]
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 [C2/m]
_cell_length_a [16.5179]
_cell_length_b [4.0668]
_cell_length_c [12.4405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InTe3As]
_chemical_formula_sum '[In4 Te12 As4]'
_cell_volume [744.9892]
_cell_formula_units_Z [4]
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  4  0.1611  0.5000  0.8788  1
  Te  Te1  4  0.0846  0.0000  0.6837  1
  Te  Te2  4  0.1471  0.0000  0.0447  1
  Te  Te3  4  0.1557  0.5000  0.4341  1
  As  As4  4  0.0639  0.0000  0.2823  1
]