data_[Mg4Si8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1115]
_cell_length_b [12.7887]
_cell_length_c [4.5806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgSi2Os]
_chemical_formula_sum '[Mg4 Si8 Os4]'
_cell_volume [248.5903]
_cell_formula_units_Z [4]
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  4  0.0000  0.1076  0.5000  1.0
  Si  Si1  4  0.0000  0.2482  0.0000  1.0
  Si  Si2  4  0.0943  0.5000  0.8121  1.0
  Os  Os3  4  0.0000  0.3300  0.5000  1.0
]