data_[Mn4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P42_12]
_cell_length_a [5.1078]
_cell_length_b [5.1078]
_cell_length_c [17.7872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [90]
_chemical_formula_structural [Mn2Os]
_chemical_formula_sum '[Mn4 Os2]'
_cell_volume [464.0639]
_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
[
  Mn  Mn0  4  0.1726  0.8274  0.5000  1
  Os  Os1  2  0.0000  0.5000  0.4217  1
]