data_[Ca4Mg10Zn8]
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 [Immm]
_cell_length_a [5.9264]
_cell_length_b [8.7472]
_cell_length_c [9.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ca2Mg5Zn4]
_chemical_formula_sum '[Ca4 Mg10 Zn8]'
_cell_volume [489.5107]
_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  0.0000  0.5000  0.2082  1.0
  Mg  Mg1  8  0.2497  0.1885  0.0000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  8  0.0000  0.1542  0.2532  1.0
]