data_[Ca6Mg4Zn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.4920]
_cell_length_b [5.4920]
_cell_length_c [13.1979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ca3Mg2Zn]
_chemical_formula_sum '[Ca6 Mg4 Zn2]'
_cell_volume [344.7395]
_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  4  0.3333  0.6667  0.6221  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.3333  0.6667  0.1391  1
  Zn  Zn3  2  0.0000  0.0000  0.2500  1
]