data_Fe2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   143.43
_cell_angle_beta   143.43
_cell_angle_gamma   52.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeCl
_chemical_formula_sum   'Fe2 Te1 Cl1'
_cell_volume   64.57
_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  0.78  0.0  0.54  1.0
  Fe  Fe2  1  0.0  0.0  0.09  1.0
  Te  Te3  1  0.0  0.78  0.54  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Fe2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   5.68
_cell_angle_alpha   108.29
_cell_angle_beta   108.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TeCl
_chemical_formula_sum   'Fe2 Te1 Cl1'
_cell_volume   64.57
_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  0.09  0.09  0.09  1.0
  Fe  Fe1  1  0.54  0.76  0.76  1.0
  Te  Te2  1  0.76  0.54  0.76  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Fe Fe Te Cl
Fe Fe Te Cl 0 2 + - o 1 3 o o o 