data_[Ta12B4Os4]
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 [Cmcm]
_cell_length_a [4.5654]
_cell_length_b [10.6434]
_cell_length_c [6.4713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ta3BOs]
_chemical_formula_sum '[Ta12 B4 Os4]'
_cell_volume [314.4539]
_cell_formula_units_Z [4]
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  8  0.0000  0.3555  0.5153  1
  Ta  Ta1  4  0.0000  0.0917  0.7500  1
  B  B2  4  0.0000  0.4889  0.2500  1
  Os  Os3  4  0.0000  0.1652  0.2500  1
]