data_[Ba2La2Be4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8116]
_cell_length_b [5.4771]
_cell_length_c [9.2896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaLaBe2]
_chemical_formula_sum '[Ba2 La2 Be4]'
_cell_volume [193.9334]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.2822  1
  La  La1  2  0.0000  0.5000  0.4620  1
  Be  Be2  2  0.0000  0.0000  0.6770  1
  Be  Be3  2  0.0000  0.5000  0.0789  1
]