data_MoAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   158.16
_cell_angle_beta   158.16
_cell_angle_gamma   31.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAs4
_chemical_formula_sum   'Mo1 As4'
_cell_volume   104.09
_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  Mo4  1  0.0  0.0  0.0  1.0
  As  As0  1  0.72  0.0  0.38  1.0
  As  As1  1  0.0  0.72  0.38  1.0
  As  As2  1  0.0  0.0  0.08  1.0
  As  As3  1  0.0  0.0  0.45  1.0

data_MoAs4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoAs4
_chemical_formula_sum   'Mo2 As8'
_cell_volume   208.18
_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  0.0  0.0  0.0  1.0
  As  As1  4  0.02  0.36  0.66  1.0
  As  As2  2  0.08  0.0  0.08  1.0
  As  As3  2  0.45  0.0  0.45  1.0

Mo As As As As