data_[Mg2Zn2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9984]
_cell_length_b [2.8099]
_cell_length_c [4.7926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgZnOs2]
_chemical_formula_sum '[Mg2 Zn2 Os4]'
_cell_volume [119.8928]
_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  2  0.2486  0.5000  0.2694  1
  Zn  Zn1  2  0.0063  0.5000  0.4865  1
  Os  Os2  2  0.2538  0.0000  0.7771  1
  Os  Os3  2  0.4913  0.5000  0.9670  1
]