data_MnAlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   151.81
_cell_angle_beta   151.81
_cell_angle_gamma   40.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlCl
_chemical_formula_sum   'Mn1 Al1 Cl1'
_cell_volume   53.94
_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  0.92  1.0
  Al  Al0  1  0.0  0.0  0.33  1.0
  Cl  Cl1  1  0.0  0.0  0.16  1.0

data_MnAlCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   110.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlCl
_chemical_formula_sum   'Mn2 Al2 Cl2'
_cell_volume   107.88
_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  0.08  1.0
  Al  Al1  2  0.0  0.0  0.67  1.0
  Cl  Cl2  2  0.0  0.0  0.84  1.0

Mn Al Cl