data_Mg2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   146.66
_cell_angle_beta   130.17
_cell_angle_gamma   61.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2POs
_chemical_formula_sum   'Mg2 P1 Os1'
_cell_volume   67.36
_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
  Mg  Mg0  1  0.0  0.3  0.46  1.0
  Mg  Mg1  1  0.0  0.0  0.53  1.0
  P  P3  1  0.0  0.0  0.72  1.0
  Os  Os2  1  0.0  0.3  0.35  1.0

data_Mg2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.59
_cell_length_c   5.45
_cell_angle_alpha   114.91
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2POs
_chemical_formula_sum   'Mg2 P1 Os1'
_cell_volume   67.36
_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
  Mg  Mg0  1  0.47  0.47  0.47  1.0
  Mg  Mg1  1  0.54  0.84  0.84  1.0
  P  P2  1  0.28  0.28  0.28  1.0
  Os  Os3  1  0.65  0.94  0.94  1.0

Mg Mg P Os
Mg Mg P Os 0 3 o o o 1 2 o o o 