data_FeP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.53
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   94.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Cl
_chemical_formula_sum   'Fe1 P2 Cl1'
_cell_volume   74.83
_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  0.32  0.76  0.12  1.0
  P  P2  1  0.69  0.0  0.33  1.0
  P  P3  1  0.52  0.76  0.28  1.0
  Cl  Cl0  1  0.75  0.0  0.7  1.0

data_FeP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.53
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   94.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Cl
_chemical_formula_sum   'Fe1 P2 Cl1'
_cell_volume   74.83
_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  0.32  0.76  0.12  1.0
  P  P1  1  0.52  0.76  0.28  1.0
  P  P2  1  0.69  0.0  0.33  1.0
  Cl  Cl3  1  0.75  0.0  0.7  1.0

Fe P P Cl
Fe P P Cl 0 2 o o o 1 2 o - o 1 3 o o o 