data_[K4Ca2La2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4680]
_cell_length_b [3.7528]
_cell_length_c [8.0640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2CaLa]
_chemical_formula_sum '[K4 Ca2 La2]'
_cell_volume [406.4485]
_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  0.0016  0.0000  0.9960  1
  K  K1  2  0.2468  0.0000  0.7488  1
  Ca  Ca2  2  0.2566  0.5000  0.2892  1
  La  La3  2  0.4950  0.0000  0.4660  1
]