data_MnP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.62
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2Cl
_chemical_formula_sum   'Mn1 P2 Cl1'
_cell_volume   73.1
_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
  Mn  Mn1  1  0.56  0.81  0.82  1.0
  P  P2  1  0.4  0.0  0.07  1.0
  P  P3  1  0.61  0.81  0.56  1.0
  Cl  Cl0  1  0.01  0.0  0.23  1.0

data_MnP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.62
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2Cl
_chemical_formula_sum   'Mn1 P2 Cl1'
_cell_volume   73.1
_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
  Mn  Mn0  1  0.56  0.81  0.82  1.0
  P  P1  1  0.4  0.0  0.07  1.0
  P  P2  1  0.61  0.81  0.56  1.0
  Cl  Cl3  1  0.01  0.0  0.23  1.0

Mn P P Cl
Mn P P Cl 0 1 o + + 0 2 o o o 1 3 o o o 