data_[La2Zr4Be2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7917]
_cell_length_b [3.3481]
_cell_length_c [4.9751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaZr2Be]
_chemical_formula_sum '[La2 Zr4 Be2]'
_cell_volume [179.9874]
_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  0.2855  0.5000  0.3122  1
  Zr  Zr1  2  0.2016  0.0000  0.7301  1
  Zr  Zr2  2  0.4944  0.5000  0.9853  1
  Be  Be3  2  0.0184  0.5000  0.4724  1
]