data_Mo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   6.88
_cell_angle_alpha   108.82
_cell_angle_beta   108.82
_cell_angle_gamma   36.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2As
_chemical_formula_sum   'Mo4 As2'
_cell_volume   95.03
_cell_formula_units_Z   2
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  0.91  0.0  0.25  1.0
  Mo  Mo3  1  0.05  0.0  0.51  1.0
  Mo  Mo4  1  0.06  0.0  0.96  1.0
  Mo  Mo5  1  0.2  0.0  0.22  1.0
  As  As0  1  0.8  0.0  0.5  1.0
  As  As1  1  0.31  0.0  0.98  1.0

data_Mo2As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.11
_cell_length_b   4.97
_cell_length_c   6.88
_cell_angle_alpha   108.82
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mo2As
_chemical_formula_sum   'Mo4 As2'
_cell_volume   95.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.36  0.52  1.0
  Mo  Mo1  2  0.0  0.49  0.78  1.0
  As  As2  2  0.0  0.24  0.76  1.0

Mo Mo Mo Mo As As