data_[Ca2La4Zn4Cu4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1854]
_cell_length_b [4.2261]
_cell_length_c [24.5168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CaLa2Zn2(CuSi2)2]
_chemical_formula_sum '[Ca2 La4 Zn4 Cu4 Si8]'
_cell_volume [433.6447]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  La  La1  4  0.0000  0.5000  0.3548  1
  Zn  Zn2  4  0.0000  0.0000  0.2500  1
  Si  Si3  4  0.0000  0.0000  0.4516  1
  Cu  Cu4  4  0.0000  0.5000  0.0926  1
  Si  Si5  4  0.0000  0.5000  0.1899  1
]