data_[Fe1Ge1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4173]
_cell_length_b [6.5861]
_cell_length_c [18.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [FeGeTe3]
_chemical_formula_sum '[Fe1 Ge1 Te3]'
_cell_volume [537.2622]
_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
[
  Fe  Fe0  1  0.1372  0.5000  0.4587  1
  Ge  Ge1  1  0.6232  0.5000  0.5285  1
  Te  Te2  2  0.0701  0.2227  0.5669  1
  Te  Te3  1  0.6368  0.5000  0.3791  1
]