data_MoAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   7.36
_cell_angle_alpha   108.81
_cell_angle_beta   108.81
_cell_angle_gamma   37.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsCl2
_chemical_formula_sum   'Mo1 As1 Cl2'
_cell_volume   99.8
_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  Mo3  1  0.96  0.0  0.59  1.0
  As  As0  1  0.62  0.0  0.6  1.0
  Cl  Cl1  1  0.76  0.0  0.69  1.0
  Cl  Cl2  1  0.76  0.0  0.51  1.0

data_MoAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.88
_cell_length_c   7.36
_cell_angle_alpha   108.81
_cell_angle_beta   90.0
_cell_angle_gamma   108.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsCl2
_chemical_formula_sum   'Mo1 As1 Cl2'
_cell_volume   99.8
_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  0.04  0.41  1.0
  As  As1  1  0.0  0.38  0.4  1.0
  Cl  Cl2  1  0.0  0.24  0.49  1.0
  Cl  Cl3  1  0.0  0.24  0.31  1.0

Mo As Cl Cl
Mo As Cl Cl 0 3 o o o 1 2 o o o 1 3 o o o 