data_[Ta4Be5B2]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6558]
_cell_length_b [3.4155]
_cell_length_c [6.4128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta4Be5B2]
_chemical_formula_sum '[Ta4 Be5 B2]'
_cell_volume [123.6529]
_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  0.2115  0.5000  0.1468  1
  Ta  Ta1  2  0.2540  0.5000  0.6233  1
  Be  Be2  2  0.1148  0.0000  0.8793  1
  Be  Be3  2  0.4069  0.0000  0.3631  1
  Be  Be4  1  0.5000  0.0000  0.0000  1
  B  B5  2  0.0690  0.0000  0.3818  1
]