data_[Mg4Zr4Zn4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.1067]
_cell_length_b [6.3852]
_cell_length_c [8.7849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MgZrZnO4]
_chemical_formula_sum '[Mg4 Zr4 Zn4 O16]'
_cell_volume [342.5422]
_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
[
  Mg  Mg0  4  0.2500  0.2500  0.7500  1.0
  Zr  Zr1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.0000  0.2500  0.3616  1.0
  O  O3  8  0.0000  0.0190  0.7612  1.0
  O  O4  8  0.2327  0.2500  0.9953  1.0
]