data_Hf2MgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55
_cell_length_b   9.55
_cell_length_c   9.55
_cell_angle_alpha   18.77
_cell_angle_beta   18.77
_cell_angle_gamma   18.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgOs
_chemical_formula_sum   'Hf2 Mg1 Os1'
_cell_volume   78.79
_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
  Hf  Hf0  1  0.0  0.0  0.27  1.0
  Hf  Hf1  1  0.0  0.0  0.11  1.0
  Mg  Mg2  1  0.0  0.0  0.79  1.0
  Os  Os3  1  0.0  0.0  0.03  1.0

data_Hf2MgOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2MgOs
_chemical_formula_sum   'Hf4 Mg2 Os2'
_cell_volume   157.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  -0.0  0.0  0.73  1.0
  Hf  Hf1  2  -0.0  0.0  0.89  1.0
  Mg  Mg2  2  -0.0  0.0  0.21  1.0
  Os  Os3  2  -0.0  0.0  0.97  1.0

Hf Hf Mg Os