data_[Cs1Y2Zr1Si1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6294]
_cell_length_b [5.6294]
_cell_length_c [5.2708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CsY2ZrSi]
_chemical_formula_sum '[Cs1 Y2 Zr1 Si1]'
_cell_volume [167.0303]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.5000  0.5000  0.5000  1
  Y  Y1  2  0.0000  0.5000  0.0000  1
  Zr  Zr2  1  0.0000  0.0000  0.5000  1
  Si  Si3  1  0.0000  0.0000  0.0000  1
]