data_FeTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   18.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTe5
_chemical_formula_sum   'Fe1 Te5'
_cell_volume   178.79
_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
  Te  Te1  1  0.54  0.54  0.21  1.0
  Te  Te2  1  0.54  0.54  0.65  1.0
  Te  Te3  1  0.0  0.0  0.57  1.0
  Te  Te4  1  0.0  0.0  0.3  1.0
  Te  Te5  1  0.54  0.54  0.43  1.0

data_FeTe5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   18.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeTe5
_chemical_formula_sum   'Fe2 Te10'
_cell_volume   357.59
_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  0.0  1.0
  Te  Te1  2  0.0  0.0  0.3  1.0
  Te  Te2  2  0.0  0.0  0.57  1.0
  Te  Te3  2  0.04  0.5  0.21  1.0
  Te  Te4  2  0.04  0.5  0.43  1.0
  Te  Te5  2  0.04  0.5  0.65  1.0

Fe Te Te Te Te Te