data_[La8Be4In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2119]
_cell_length_b [6.0164]
_cell_length_c [7.0839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2BeIn]
_chemical_formula_sum '[La8 Be4 In4]'
_cell_volume [429.5099]
_cell_formula_units_Z [4]
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  0.1575  0.0000  0.8976  1
  La  La1  2  0.1987  0.5000  0.2716  1
  La  La2  2  0.3001  0.5000  0.7464  1
  La  La3  2  0.3986  0.0000  0.4060  1
  Be  Be4  4  0.4358  0.3213  0.0967  1
  In  In5  2  0.0635  0.0000  0.4077  1
  In  In6  2  0.4824  0.0000  0.8810  1
]