data_Mn2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   17.5
_cell_angle_beta   17.5
_cell_angle_gamma   17.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PCl
_chemical_formula_sum   'Mn2 P1 Cl1'
_cell_volume   61.65
_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  0.0  0.0  0.13  1.0
  Mn  Mn2  1  0.0  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.58  1.0

data_Mn2PCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2PCl
_chemical_formula_sum   'Mn4 P2 Cl2'
_cell_volume   123.31
_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
  Mn  Mn0  2  0.0  0.0  0.76  1.0
  Mn  Mn1  2  0.0  0.0  0.87  1.0
  P  P2  2  0.0  0.0  0.16  1.0
  Cl  Cl3  2  0.0  0.0  0.42  1.0

Mn Mn P Cl