data_MnSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   127.97
_cell_angle_beta   127.97
_cell_angle_gamma   76.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiCl2
_chemical_formula_sum   'Mn1 Si1 Cl2'
_cell_volume   76.66
_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  Mn2  1  0.0  0.0  0.94  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.2  0.0  0.97  1.0
  Cl  Cl1  1  0.0  0.2  0.97  1.0

data_MnSiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   128.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnSiCl2
_chemical_formula_sum   'Mn2 Si2 Cl4'
_cell_volume   153.33
_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  0.06  0.0  0.06  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.13  0.1  0.23  1.0

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