data_Fe2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiTe
_chemical_formula_sum   'Fe2 Bi1 Te1'
_cell_volume   84.9
_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  Fe1  1  0.0  0.0  0.48  1.0
  Fe  Fe2  1  0.26  0.0  0.35  1.0
  Bi  Bi0  1  0.26  0.0  0.3  1.0
  Te  Te3  1  0.0  0.0  0.8  1.0

data_Fe2BiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiTe
_chemical_formula_sum   'Fe2 Bi1 Te1'
_cell_volume   84.9
_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  0.48  1.0
  Fe  Fe1  1  0.26  0.0  0.35  1.0
  Bi  Bi2  1  0.26  0.0  0.3  1.0
  Te  Te3  1  0.0  0.0  0.8  1.0

Fe Fe Bi Te
Fe Fe Bi Te 0 1 o o o 0 3 o o o 1 2 o o o 3 3 o + o 3 3 + o o 