data_[K2Y2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [4.6104]
_cell_length_b [5.1234]
_cell_length_c [9.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [KYSi2]
_chemical_formula_sum '[K2 Y2 Si4]'
_cell_volume [215.2495]
_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  0.0000  0.5000  0.8139  1
  Y  Y1  2  0.0000  0.0000  0.4010  1
  Si  Si2  2  0.0000  0.0000  0.0889  1
  Si  Si3  2  0.0000  0.5000  0.1962  1
]