data_Mo2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   6.02
_cell_angle_alpha   91.34
_cell_angle_beta   91.34
_cell_angle_gamma   36.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsCl
_chemical_formula_sum   'Mo2 As1 Cl1'
_cell_volume   91.48
_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
  Mo  Mo2  1  0.39  0.0  0.5  1.0
  Mo  Mo3  1  0.63  0.0  0.96  1.0
  As  As0  1  0.11  0.0  0.01  1.0
  Cl  Cl1  1  0.39  0.0  0.59  1.0

data_Mo2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.04
_cell_length_c   6.02
_cell_angle_alpha   91.34
_cell_angle_beta   90.0
_cell_angle_gamma   108.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsCl
_chemical_formula_sum   'Mo2 As1 Cl1'
_cell_volume   91.48
_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
  Mo  Mo0  1  0.0  0.37  0.04  1.0
  Mo  Mo1  1  0.0  0.61  0.5  1.0
  As  As2  1  0.0  0.89  0.99  1.0
  Cl  Cl3  1  0.0  0.61  0.41  1.0

Mo Mo As Cl