data_[Fe4Cu2Te6]
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 [Cm]
_cell_length_a [6.3181]
_cell_length_b [6.4196]
_cell_length_c [19.0252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Fe2CuTe3]
_chemical_formula_sum '[Fe4 Cu2 Te6]'
_cell_volume [771.6527]
_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  4  0.3504  0.3016  0.5436  1
  Cu  Cu1  2  0.0500  0.5000  0.4907  1
  Te  Te2  4  0.3442  0.2541  0.4035  1
  Te  Te3  2  0.1456  0.0000  0.6151  1
]