data_MoAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   130.81
_cell_angle_beta   130.81
_cell_angle_gamma   72.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2Cl
_chemical_formula_sum   'Mo1 As2 Cl1'
_cell_volume   68.78
_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  0.0  0.0  0.02  1.0
  As  As0  1  0.0  0.07  0.01  1.0
  As  As1  1  0.07  0.0  0.01  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_MoAs2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   126.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoAs2Cl
_chemical_formula_sum   'Mo2 As4 Cl2'
_cell_volume   137.57
_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
  Mo  Mo0  2  0.48  0.5  0.98  1.0
  As  As1  4  0.03  0.03  0.06  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Mo As As Cl