data_[Mn21Os18]
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 [R-3m]
_cell_length_a [4.6529]
_cell_length_b [4.6529]
_cell_length_c [25.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn7Os6]
_chemical_formula_sum '[Mn21 Os18]'
_cell_volume [483.2675]
_cell_formula_units_Z [3]
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  18  0.0054  0.5027  0.9097  1.0
  Mn  Mn1  3  -0.0000  -0.0000  0.5000  1.0
  Os  Os2  6  0.0000  0.0000  0.0484  1.0
  Os  Os3  6  0.0000  0.0000  0.1514  1.0
  Os  Os4  6  0.0000  0.0000  0.3375  1.0
]