data_FeBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   147.82
_cell_angle_beta   132.94
_cell_angle_gamma   58.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBiTe2
_chemical_formula_sum   'Fe1 Bi1 Te2'
_cell_volume   111.72
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.78  1.0
  Te  Te2  1  0.83  0.0  0.79  1.0
  Te  Te3  1  0.0  0.64  0.99  1.0

data_FeBiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.28
_cell_length_c   6.61
_cell_angle_alpha   113.53
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBiTe2
_chemical_formula_sum   'Fe1 Bi1 Te2'
_cell_volume   111.72
_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  0.0  1.0
  Bi  Bi1  1  0.0  0.78  0.78  1.0
  Te  Te2  1  0.0  0.79  0.96  1.0
  Te  Te3  1  0.36  0.35  0.35  1.0

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