data_Mg3Os5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Os5
_chemical_formula_sum   'Mg6 Os10'
_cell_volume   252.37
_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
  Mg  Mg0  1  0.45  0.68  0.66  1.0
  Mg  Mg1  1  0.68  0.01  0.22  1.0
  Mg  Mg2  1  0.09  0.0  0.66  1.0
  Mg  Mg3  1  0.55  0.68  0.22  1.0
  Mg  Mg4  1  0.64  0.0  0.22  1.0
  Mg  Mg5  1  0.32  0.01  0.66  1.0
  Os  Os6  1  0.24  0.31  0.22  1.0
  Os  Os7  1  0.89  0.38  0.66  1.0
  Os  Os8  1  0.51  0.0  0.22  1.0
  Os  Os9  1  0.76  0.31  0.66  1.0
  Os  Os10  1  0.0  0.46  0.0  1.0
  Os  Os11  1  0.0  0.46  0.44  1.0
  Os  Os12  1  0.86  0.23  0.0  1.0
  Os  Os13  1  0.86  0.23  0.44  1.0
  Os  Os14  1  0.21  0.0  0.66  1.0
  Os  Os15  1  0.11  0.38  0.22  1.0

data_Mg3Os5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   7.73
_cell_length_c   7.73
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Os5
_chemical_formula_sum   'Mg6 Os10'
_cell_volume   252.37
_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
  Mg  Mg0  1  0.22  0.55  0.68  1.0
  Mg  Mg1  1  0.22  0.64  0.0  1.0
  Mg  Mg2  1  0.22  0.68  0.01  1.0
  Mg  Mg3  1  0.66  0.09  0.0  1.0
  Mg  Mg4  1  0.66  0.32  0.01  1.0
  Mg  Mg5  1  0.66  0.45  0.68  1.0
  Os  Os6  1  -0.0  -0.0  0.46  1.0
  Os  Os7  1  0.0  0.86  0.23  1.0
  Os  Os8  1  0.22  0.11  0.38  1.0
  Os  Os9  1  0.22  0.24  0.31  1.0
  Os  Os10  1  0.22  0.51  0.0  1.0
  Os  Os11  1  0.44  -0.0  0.46  1.0
  Os  Os12  1  0.44  0.86  0.23  1.0
  Os  Os13  1  0.66  0.21  0.0  1.0
  Os  Os14  1  0.66  0.76  0.31  1.0
  Os  Os15  1  0.66  0.89  0.38  1.0

Mg Mg Mg Mg Mg Mg Os Os Os Os Os Os Os Os Os Os
Mg Mg Mg Mg Mg Mg Os Os Os Os Os Os Os Os Os Os 0 3 o o o 1 4 o o o 1 3 o - o 1 12 o o o 2 14 o o o 3 6 o o o 3 8 o + o 3 4 o + o 4 8 o o o 4 12 o o o 5 14 o o o 6 15 o o o 7 9 o o o 7 10 + o + 7 11 + o o 7 12 o o + 7 13 o o o 9 12 o o + 9 13 o o o 10 12 - o o 10 15 o o o 11 13 - o o 11 15 o o o 12 15 + o o 