data_[Ce2Al2Cr2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [5.4176]
_cell_length_b [5.5528]
_cell_length_c [5.7088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CeAlCrSi2]
_chemical_formula_sum '[Ce2 Al2 Cr2 Si4]'
_cell_volume [171.7368]
_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
[
  Ce  Ce0  2  0.2500  0.5000  0.2289  1
  Al  Al1  2  0.2500  0.0000  0.3807  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  Si  Si3  4  0.2500  0.2637  0.7480  1
]