data_[Ta2B12Os4]
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 [Imm2]
_cell_length_a [6.8795]
_cell_length_b [8.6856]
_cell_length_c [2.9556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ta(B3Os)2]
_chemical_formula_sum '[Ta2 B12 Os4]'
_cell_volume [176.6077]
_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  2  0.0000  0.0000  0.2630  1
  B  B1  8  0.2458  0.1836  0.4651  1
  B  B2  4  0.1702  0.5000  0.9792  1
  Os  Os3  4  0.0000  0.3333  0.4585  1
]