data_Fe2SbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   42.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SbTe
_chemical_formula_sum   'Fe2 Sb1 Te1'
_cell_volume   74.54
_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  0.0  0.0  0.69  1.0
  Fe  Fe1  1  0.1  0.0  0.02  1.0
  Sb  Sb2  1  0.0  0.0  0.93  1.0
  Te  Te3  1  0.1  0.0  0.21  1.0

data_Fe2SbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.21
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SbTe
_chemical_formula_sum   'Fe2 Sb1 Te1'
_cell_volume   74.54
_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  0.31  0.0  0.31  1.0
  Fe  Fe1  1  0.98  0.1  0.98  1.0
  Sb  Sb2  1  0.07  0.0  0.07  1.0
  Te  Te3  1  0.79  0.1  0.79  1.0

Fe Fe Sb Te
Fe Fe Sb Te 0 2 o o o 1 2 o o - 1 3 o o o 