data_MnAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAg2Cl
_chemical_formula_sum   'Mn1 Ag2 Cl1'
_cell_volume   78.04
_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  Mn3  1  0.55  0.55  0.08  1.0
  Ag  Ag0  1  0.0  0.0  0.96  1.0
  Ag  Ag1  1  0.55  0.55  0.7  1.0
  Cl  Cl2  1  0.0  0.0  0.61  1.0

data_MnAg2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAg2Cl
_chemical_formula_sum   'Mn2 Ag4 Cl2'
_cell_volume   156.07
_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  0.05  0.5  0.08  1.0
  Ag  Ag1  2  0.0  0.0  0.96  1.0
  Ag  Ag2  2  0.05  0.5  0.7  1.0
  Cl  Cl3  2  0.0  0.0  0.61  1.0

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