data_[Fe1Sn1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3883]
_cell_length_b [5.6903]
_cell_length_c [19.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [111.0524]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeSnTe3]
_chemical_formula_sum '[Fe1 Sn1 Te3]'
_cell_volume [448.2876]
_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  0.7747  0.1899  0.5025  1
  Sn  Sn1  1  0.5559  0.6143  0.5339  1
  Te  Te2  1  0.0861  0.5062  0.4022  1
  Te  Te3  1  0.2121  0.0229  0.4390  1
  Te  Te4  1  0.9589  0.3736  0.6224  1
]