data_[Ca8La4Zn8]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7033]
_cell_length_b [28.7740]
_cell_length_c [5.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca2LaZn2]
_chemical_formula_sum '[Ca8 La4 Zn8]'
_cell_volume [573.1962]
_cell_formula_units_Z [4]
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  4  0.0000  0.0427  0.2500  1
  Ca  Ca1  4  0.0000  0.2215  0.2500  1
  La  La2  4  0.0000  0.1376  0.7500  1
  Zn  Zn3  4  0.0000  0.3690  0.7500  1
  Zn  Zn4  4  0.0000  0.4504  0.2500  1
]