data_MoAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.82
_cell_angle_alpha   102.86
_cell_angle_beta   102.86
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsOs2
_chemical_formula_sum   'Mo1 As1 Os2'
_cell_volume   60.98
_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  Mo1  1  0.68  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.73  0.77  0.27  1.0
  Os  Os3  1  0.73  0.23  0.27  1.0

data_MoAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.87
_cell_length_c   5.21
_cell_angle_alpha   116.05
_cell_angle_beta   102.86
_cell_angle_gamma   95.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoAsOs2
_chemical_formula_sum   'Mo1 As1 Os2'
_cell_volume   60.98
_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  0.0  0.68  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.04  0.77  0.5  1.0
  Os  Os3  1  0.5  0.23  0.96  1.0

Mo As Os Os
Mo As Os Os 0 3 o o o 0 1 + o o 0 2 o - o 1 2 - - - 1 2 - - o 