data_Mg4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   99.6
_cell_angle_beta   99.6
_cell_angle_gamma   131.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Os
_chemical_formula_sum   'Mg4 Os1'
_cell_volume   90.77
_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  0.87  0.73  0.09  1.0
  Mg  Mg1  1  0.43  0.57  0.0  1.0
  Mg  Mg2  1  0.02  0.43  0.0  1.0
  Mg  Mg3  1  0.27  0.87  0.09  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0

data_Mg4Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   80.4
_cell_angle_beta   65.89
_cell_angle_gamma   65.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Os
_chemical_formula_sum   'Mg4 Os1'
_cell_volume   90.77
_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  0.43  0.59  -0.0  1.0
  Mg  Mg1  1  0.57  0.86  -0.0  1.0
  Mg  Mg2  1  0.73  0.14  0.91  1.0
  Mg  Mg3  1  0.87  0.41  0.91  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Os