data_MoP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.15
_cell_angle_alpha   101.6
_cell_angle_beta   101.6
_cell_angle_gamma   42.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2Os
_chemical_formula_sum   'Mo1 P2 Os1'
_cell_volume   55.53
_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  0.0  1.0
  P  P2  1  0.38  0.0  0.3  1.0
  P  P3  1  0.05  0.0  0.73  1.0
  Os  Os1  1  0.22  0.0  0.52  1.0

data_MoP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.05
_cell_length_c   5.15
_cell_angle_alpha   101.6
_cell_angle_beta   90.0
_cell_angle_gamma   111.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoP2Os
_chemical_formula_sum   'Mo1 P2 Os1'
_cell_volume   55.53
_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  0.0  1.0
  P  P1  1  0.0  0.62  0.7  1.0
  P  P2  1  0.0  0.95  0.27  1.0
  Os  Os3  1  0.0  0.78  0.48  1.0

Mo P P Os