data_[Co4Ge4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [9.0332]
_cell_length_b [9.0332]
_cell_length_c [8.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [CoGeTe4]
_chemical_formula_sum '[Co4 Ge4 Te16]'
_cell_volume [655.0193]
_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
[
  Co  Co0  4  0.0000  0.0000  0.7515  1
  Ge  Ge1  4  0.0000  0.0000  0.2540  1
  Te  Te2  8  0.0000  0.3015  0.7682  1
  Te  Te3  8  0.0000  0.3138  0.2291  1
]