data_BaMnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   6.94
_cell_length_c   3.8
_cell_angle_alpha   76.05
_cell_angle_beta   72.49
_cell_angle_gamma   31.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMnCl
_chemical_formula_sum   'Ba1 Mn1 Cl1'
_cell_volume   92.67
_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
  Ba  Ba0  1  0.52  0.84  0.15  1.0
  Mn  Mn2  1  0.52  0.84  0.25  1.0
  Cl  Cl1  1  0.52  0.84  0.54  1.0

data_BaMnCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   12.94
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   131.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMnCl
_chemical_formula_sum   'Ba2 Mn2 Cl2'
_cell_volume   185.33
_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
  Ba  Ba0  2  0.02  0.5  0.67  1.0
  Mn  Mn1  2  0.02  0.5  0.77  1.0
  Cl  Cl2  2  0.02  0.5  0.06  1.0

Ba Mn Cl
Ba Mn Cl 0 1 o o o 1 2 o o o 