data_MnP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   7.21
_cell_angle_alpha   108.88
_cell_angle_beta   108.88
_cell_angle_gamma   45.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2Cl
_chemical_formula_sum   'Mn1 P2 Cl1'
_cell_volume   68.37
_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  0.19  0.0  0.37  1.0
  P  P2  1  0.24  0.0  0.41  1.0
  P  P3  1  0.14  0.0  0.34  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_MnP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.76
_cell_length_c   6.96
_cell_angle_alpha   78.2
_cell_angle_beta   77.85
_cell_angle_gamma   67.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2Cl
_chemical_formula_sum   'Mn1 P2 Cl1'
_cell_volume   68.37
_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  0.0  0.82  0.37  1.0
  P  P1  1  0.0  0.81  0.34  1.0
  P  P2  1  0.0  0.83  0.41  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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