data_[Ta4B2Os5]
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 [P2/m]
_cell_length_a [6.4127]
_cell_length_b [3.1229]
_cell_length_c [7.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta4B2Os5]
_chemical_formula_sum '[Ta4 B2 Os5]'
_cell_volume [158.5273]
_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  2  0.1821  0.5000  0.8460  1
  Ta  Ta1  2  0.2233  0.5000  0.4373  1
  B  B2  2  0.0633  0.0000  0.6169  1
  Os  Os3  2  0.1594  0.0000  0.1512  1
  Os  Os4  2  0.4408  0.0000  0.6690  1
  Os  Os5  1  0.5000  0.0000  0.0000  1
]