data_[Ta3Mn8Os1]
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 [4.7530]
_cell_length_b [4.7530]
_cell_length_c [7.8366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ta3Mn8Os]
_chemical_formula_sum '[Ta3 Mn8 Os1]'
_cell_volume [153.3150]
_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  0.9327  1
  Ta  Ta1  1  0.6667  0.3333  0.0639  1
  Ta  Ta2  1  0.6667  0.3333  0.4418  1
  Mn  Mn3  3  0.1608  0.3216  0.2523  1
  Mn  Mn4  3  0.5063  0.4937  0.7464  1
  Mn  Mn5  1  0.3333  0.6667  0.4962  1
  Mn  Mn6  1  0.3333  0.6667  0.9965  1
  Os  Os7  1  0.0000  0.0000  0.5729  1
]