data_[Rb2Ta2Be2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5113]
_cell_length_b [5.0534]
_cell_length_c [11.1830]
_cell_angle_alpha [82.6232]
_cell_angle_beta [79.2188]
_cell_angle_gamma [63.5878]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbTaBe]
_chemical_formula_sum '[Rb2 Ta2 Be2]'
_cell_volume [224.0025]
_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
[
  Rb  Rb0  2  0.0397  0.1940  0.2029  1
  Ta  Ta1  2  0.2672  0.5100  0.4523  1
  Be  Be2  2  0.2530  0.0000  0.5001  1
]