data_SnMo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   128.81
_cell_angle_beta   128.81
_cell_angle_gamma   75.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMo2Cl
_chemical_formula_sum   'Sn1 Mo2 Cl1'
_cell_volume   71.4
_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
  Sn  Sn3  1  0.0  0.14  0.96  1.0
  Mo  Mo1  1  0.14  0.0  0.96  1.0
  Mo  Mo2  1  0.0  0.0  0.91  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SnMo2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.94
_cell_angle_alpha   115.6
_cell_angle_beta   115.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnMo2Cl
_chemical_formula_sum   'Sn1 Mo2 Cl1'
_cell_volume   71.4
_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
  Sn  Sn0  1  0.18  0.14  0.18  1.0
  Mo  Mo1  1  0.04  0.0  0.18  1.0
  Mo  Mo2  1  0.09  0.0  0.09  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sn Mo Mo Cl