data_AgMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52
_cell_length_b   10.52
_cell_length_c   10.52
_cell_angle_alpha   16.89
_cell_angle_beta   16.89
_cell_angle_gamma   16.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgMoCl2
_chemical_formula_sum   'Ag1 Mo1 Cl2'
_cell_volume   85.76
_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
  Ag  Ag0  1  0.0  0.0  0.55  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.47  1.0
  Cl  Cl2  1  0.0  0.0  0.64  1.0

data_AgMoCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgMoCl2
_chemical_formula_sum   'Ag2 Mo2 Cl4'
_cell_volume   171.52
_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
  Ag  Ag0  2  -0.0  0.0  0.45  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  -0.0  0.0  0.53  1.0
  Cl  Cl3  2  -0.0  0.0  0.36  1.0

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