data_Fe2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   23.06
_cell_angle_beta   23.06
_cell_angle_gamma   23.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2BiTe
_chemical_formula_sum   'Fe2 Bi1 Te1'
_cell_volume   86.62
_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  0.39  1.0
  Fe  Fe2  1  0.0  0.0  0.66  1.0
  Bi  Bi0  1  0.0  0.0  0.85  1.0
  Te  Te3  1  0.0  0.0  0.9  1.0

data_Fe2BiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   3.45
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2BiTe
_chemical_formula_sum   'Fe4 Bi2 Te2'
_cell_volume   173.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.34  1.0
  Fe  Fe1  2  0.0  0.0  0.61  1.0
  Bi  Bi2  2  0.0  0.0  0.15  1.0
  Te  Te3  2  0.0  0.0  0.1  1.0

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