data_[In4Cu2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6409]
_cell_length_b [4.1975]
_cell_length_c [7.7751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2CuTe4]
_chemical_formula_sum '[In4 Cu2 Te8]'
_cell_volume [437.7455]
_cell_formula_units_Z [2]
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  0.1837  0.5000  0.6509  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.1110  0.0000  0.4053  1
  Te  Te3  4  0.1217  0.5000  0.9773  1
]