data_[Co4Ge4Te4]
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 [P2_1/c]
_cell_length_a [6.3528]
_cell_length_b [5.1797]
_cell_length_c [7.0734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoGeTe]
_chemical_formula_sum '[Co4 Ge4 Te4]'
_cell_volume [232.7490]
_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  0.2395  0.5200  0.6335  1
  Ge  Ge1  4  0.0833  0.6940  0.3495  1
  Te  Te2  4  0.4172  0.2255  0.3946  1
]