data_[K2Ta4Be2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.9066]
_cell_length_b [5.7797]
_cell_length_c [10.3217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KTa2Be]
_chemical_formula_sum '[K2 Ta4 Be2]'
_cell_volume [173.3951]
_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
[
  K  K0  2  0.0000  0.5000  0.2333  1
  Ta  Ta1  2  0.0000  0.0000  0.0413  1
  Ta  Ta2  2  0.0000  0.5000  0.7604  1
  Be  Be3  2  0.0000  0.0000  0.4651  1
]