data_BaMn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   6.93
_cell_angle_alpha   146.75
_cell_angle_beta   146.75
_cell_angle_gamma   47.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Cl
_chemical_formula_sum   'Ba1 Mn2 Cl1'
_cell_volume   99.48
_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  0.0  0.0  0.33  1.0
  Mn  Mn2  1  0.98  0.0  0.17  1.0
  Mn  Mn3  1  0.0  0.98  0.17  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BaMn2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   113.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2Cl
_chemical_formula_sum   'Ba2 Mn4 Cl2'
_cell_volume   198.97
_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  0.33  0.0  0.33  1.0
  Mn  Mn1  4  0.18  0.01  0.19  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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