data_[K4La2Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8078]
_cell_length_b [3.8328]
_cell_length_c [10.1187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2LaAl]
_chemical_formula_sum '[K4 La2 Al2]'
_cell_volume [378.6126]
_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
[
  K  K0  2  0.2542  0.5000  0.2870  1
  K  K1  2  0.4766  0.5000  0.9310  1
  La  La2  2  0.0248  0.5000  0.5783  1
  Al  Al3  2  0.2444  0.0000  0.7038  1
]