data_FeSiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiCl
_chemical_formula_sum   'Fe1 Si1 Cl1'
_cell_volume   48.62
_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  0.62  0.93  0.89  1.0
  Si  Si2  1  0.0  0.0  0.25  1.0
  Cl  Cl0  1  1.0  0.87  0.23  1.0

data_FeSiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiCl
_chemical_formula_sum   'Fe1 Si1 Cl1'
_cell_volume   48.62
_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  Fe0  1  0.62  0.93  0.89  1.0
  Si  Si1  1  0.0  0.0  0.25  1.0
  Cl  Cl2  1  1.0  0.87  0.23  1.0

Fe Si Cl
Fe Si Cl 0 2 - o + 0 2 o o + 0 1 + + + 1 2 - - o 