data_[Li2Ca4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3215]
_cell_length_b [3.7381]
_cell_length_c [7.1137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCa2Zn]
_chemical_formula_sum '[Li2 Ca4 Zn2]'
_cell_volume [243.9430]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1
  Ca  Ca1  4  0.2384  0.5000  0.7281  1
  Zn  Zn2  2  0.0000  0.0000  0.5000  1
]