data_MoPOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.02
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   104.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPOs2
_chemical_formula_sum   'Mo1 P1 Os2'
_cell_volume   56.92
_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  0.33  0.0  0.5  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.79  0.01  0.83  1.0
  Os  Os2  1  0.7  0.01  0.17  1.0

data_MoPOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.83
_cell_length_b   4.02
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   104.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MoPOs2
_chemical_formula_sum   'Mo1 P1 Os2'
_cell_volume   56.92
_cell_formula_units_Z   1
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  1  0.33  0.0  0.5  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.7  0.0  0.17  1.0
  Os  Os3  1  0.79  0.0  0.83  1.0

Mo P Os Os