data_[La24Ge8As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [11.7358]
_cell_length_b [11.6683]
_cell_length_c [8.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La3GeAs]
_chemical_formula_sum '[La24 Ge8 As8]'
_cell_volume [1186.5609]
_cell_formula_units_Z [8]
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  16  0.1622  0.1521  0.0818  1
  La  La1  8  0.0000  0.0709  0.6793  1
  Ge  Ge2  8  0.0000  0.1996  0.3691  1
  As  As3  8  0.2500  0.0940  0.7500  1
]