data_[Fe4Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5215]
_cell_length_b [6.3661]
_cell_length_c [6.5490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FeSbTe]
_chemical_formula_sum '[Fe4 Sb4 Te4]'
_cell_volume [246.8590]
_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
[
  Fe  Fe0  4  0.2230  0.5008  0.7096  1.0
  Sb  Sb1  4  0.3619  0.1453  0.6202  1.0
  Te  Te2  4  0.1500  0.6405  0.3284  1.0
]