data_[Ta6Be6Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.4054]
_cell_length_b [3.1582]
_cell_length_c [6.5965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TaBeOs]
_chemical_formula_sum '[Ta6 Be6 Os6]'
_cell_volume [237.6081]
_cell_formula_units_Z [6]
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  0.0468  0.0000  0.7606  1.0
  Ta  Ta1  2  0.2500  0.0000  0.1515  1.0
  Be  Be2  4  0.0894  0.5000  0.0537  1.0
  Be  Be3  2  0.2500  0.0000  0.5500  1.0
  Os  Os4  4  0.1208  0.5000  0.4229  1.0
  Os  Os5  2  0.2500  0.5000  0.8064  1.0
]