data_[La2Be2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9274]
_cell_length_b [6.5636]
_cell_length_c [3.9829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBeCu2]
_chemical_formula_sum '[La2 Be2 Cu4]'
_cell_volume [148.3348]
_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
[
  La  La0  2  0.0000  0.0000  0.5000  1
  Be  Be1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.2500  0.2500  0.0000  1
]