data_Fe2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.75
_cell_angle_alpha   118.24
_cell_angle_beta   118.24
_cell_angle_gamma   42.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeBr
_chemical_formula_sum   'Fe2 Te1 Br1'
_cell_volume   86.38
_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  0.12  0.0  0.01  1.0
  Fe  Fe2  1  0.23  0.0  0.81  1.0
  Te  Te3  1  0.67  0.0  0.91  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Fe2TeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.7
_cell_length_c   6.13
_cell_angle_alpha   75.75
_cell_angle_beta   73.96
_cell_angle_gamma   68.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeBr
_chemical_formula_sum   'Fe2 Te1 Br1'
_cell_volume   86.38
_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  0.11  0.01  1.0
  Fe  Fe1  1  0.0  0.42  0.81  1.0
  Te  Te2  1  0.0  0.77  0.91  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Fe Fe Te Br