data_[Li4Ca4Zn4]
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 [P2_1/c]
_cell_length_a [6.1705]
_cell_length_b [5.9704]
_cell_length_c [8.3884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCaZn]
_chemical_formula_sum '[Li4 Ca4 Zn4]'
_cell_volume [286.5669]
_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
[
  Li  Li0  4  0.4119  0.5996  0.8022  1.0
  Ca  Ca1  4  0.1877  0.1166  0.8723  1.0
  Zn  Zn2  4  0.1848  0.6236  0.0264  1.0
]