data_[K4Ca2Y2]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.0897]
_cell_length_b [3.6988]
_cell_length_c [7.9528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2CaY]
_chemical_formula_sum '[K4 Ca2 Y2]'
_cell_volume [383.9605]
_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  0.0017  0.0000  0.9971  1
  K  K1  2  0.2465  0.0000  0.7468  1
  Ca  Ca2  2  0.2566  0.5000  0.2905  1
  Y  Y3  2  0.4952  0.0000  0.4657  1
]