data_[Fe2Sb3Te1]
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 [Pm]
_cell_length_a [5.7245]
_cell_length_b [3.3034]
_cell_length_c [6.4694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Fe2Sb3Te]
_chemical_formula_sum '[Fe2 Sb3 Te1]'
_cell_volume [122.3301]
_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  0.5045  0.0000  0.5007  1
  Fe  Fe1  1  0.9977  0.5000  0.9954  1
  Sb  Sb2  1  0.1967  0.5000  0.6425  1
  Sb  Sb3  1  0.2987  0.0000  0.1516  1
  Sb  Sb4  1  0.8070  0.5000  0.3535  1
  Te  Te5  1  0.6953  0.0000  0.8563  1
]