data_[Fe2Cu4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [20.2149]
_cell_length_b [5.5379]
_cell_length_c [6.3884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [FeCu2Te3]
_chemical_formula_sum '[Fe2 Cu4 Te6]'
_cell_volume [715.1699]
_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
[
  Fe  Fe0  2  0.5000  0.0000  0.4647  1
  Cu  Cu1  4  0.4159  0.7157  0.6529  1
  Te  Te2  4  0.3710  0.0576  0.4278  1
  Te  Te3  2  0.5000  0.0000  0.8838  1
]