data_MoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs2
_chemical_formula_sum   'Mo4 As8'
_cell_volume   247.6
_cell_formula_units_Z   4
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  Mo8  1  0.14  0.0  0.14  1.0
  Mo  Mo9  1  0.0  0.14  0.14  1.0
  Mo  Mo10  1  0.0  0.0  0.0  1.0
  Mo  Mo11  1  0.14  0.14  0.0  1.0
  As  As0  1  0.73  0.87  0.55  1.0
  As  As1  1  0.55  0.41  0.73  1.0
  As  As2  1  0.87  0.55  0.73  1.0
  As  As3  1  0.41  0.73  0.55  1.0
  As  As4  1  0.55  0.73  0.87  1.0
  As  As5  1  0.73  0.55  0.41  1.0
  As  As6  1  0.41  0.41  0.41  1.0
  As  As7  1  0.87  0.87  0.87  1.0

data_MoAs2
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   10.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   MoAs2
_chemical_formula_sum   'Mo12 As24'
_cell_volume   742.8
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.05  0.09  0.09  1.0
  Mo  Mo1  3  0.0  0.0  0.0  1.0
  As  As2  9  0.01  0.16  0.72  1.0
  As  As3  9  0.16  0.15  0.56  1.0
  As  As4  3  0.0  0.0  0.41  1.0
  As  As5  3  0.0  0.0  0.87  1.0

Mo Mo Mo Mo As As As As As As As As
Mo Mo Mo Mo As As As As As As As As 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 11 - - - 2 3 o o o 4 8 o o o 4 7 o o o 4 9 o o o 4 6 o o o 4 11 o o o 5 10 o o o 5 7 o o o 5 9 o o o 5 8 o o o 5 6 o o o 6 9 o o o 6 8 o o o 6 11 o o o 7 10 o o o 7 9 o o o 7 8 o o o 8 11 o o o 9 10 o o o 