data_[In2Cu3Te3]
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 [Pm]
_cell_length_a [3.7501]
_cell_length_b [20.6964]
_cell_length_c [6.8881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In2(CuTe)3]
_chemical_formula_sum '[In2 Cu3 Te3]'
_cell_volume [534.5978]
_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  0.6724  0.3624  0.7135  1
  Cu  Cu1  2  0.1783  0.4326  0.9610  1
  Cu  Cu2  1  0.1866  0.5000  0.2691  1
  Te  Te3  2  0.6817  0.4008  0.1962  1
  Te  Te4  1  0.1677  0.5000  0.6546  1
]