data_[Ta4B4Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8563]
_cell_length_b [3.6960]
_cell_length_c [5.6392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2B2Os3]
_chemical_formula_sum '[Ta4 B4 Os6]'
_cell_volume [181.4979]
_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
[
  Ta  Ta0  4  0.1293  0.5000  0.3441  1.0
  B  B1  4  0.0749  0.0000  0.6392  1.0
  Os  Os2  4  0.1836  0.5000  0.8399  1.0
  Os  Os3  2  0.0000  0.0000  0.0000  1.0
]