data_[Mn8Tc3Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6622]
_cell_length_b [4.6622]
_cell_length_c [7.6146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Mn8Tc3Os]
_chemical_formula_sum '[Mn8 Tc3 Os1]'
_cell_volume [143.3393]
_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
[
  Mn  Mn0  3  0.1590  0.3179  0.2500  1
  Mn  Mn1  3  0.5075  0.0151  0.7495  1
  Mn  Mn2  1  0.3333  0.6667  0.0007  1
  Mn  Mn3  1  0.3333  0.6667  0.4998  1
  Tc  Tc4  1  0.0000  0.0000  0.9309  1
  Tc  Tc5  1  0.6667  0.3333  0.0684  1
  Tc  Tc6  1  0.6667  0.3333  0.4326  1
  Os  Os7  1  0.0000  0.0000  0.5691  1
]