data_[Ca2La6Zn4]
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 [Pmc2_1]
_cell_length_a [5.3064]
_cell_length_b [9.6136]
_cell_length_c [7.0088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaLa3Zn2]
_chemical_formula_sum '[Ca2 La6 Zn4]'
_cell_volume [357.5445]
_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  0.5000  0.4475  0.5125  1
  La  La1  2  0.0000  0.0594  0.4949  1
  La  La2  2  0.0000  0.3312  0.8211  1
  La  La3  2  0.5000  0.1691  0.1722  1
  Zn  Zn4  2  0.0000  0.3494  0.2697  1
  Zn  Zn5  2  0.5000  0.1546  0.7296  1
]