data_[Ta1Mn8Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.6868]
_cell_length_b [4.6868]
_cell_length_c [7.6790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TaMn8Os3]
_chemical_formula_sum '[Ta1 Mn8 Os3]'
_cell_volume [146.0797]
_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
[
  Ta  Ta0  1  0.0000  0.0000  0.4366  1.0
  Mn  Mn1  3  0.1592  0.3185  0.7526  1.0
  Mn  Mn2  3  0.5082  0.0164  0.2449  1.0
  Mn  Mn3  1  0.3333  0.6667  0.0000  1.0
  Mn  Mn4  1  0.3333  0.6667  0.4997  1.0
  Os  Os5  1  0.0000  0.0000  0.0678  1.0
  Os  Os6  1  0.6667  0.3333  0.5736  1.0
  Os  Os7  1  0.6667  0.3333  0.9298  1.0
]