data_[Mg4Ti6Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.1319]
_cell_length_b [25.3657]
_cell_length_c [3.2115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2Ti3Zn2]
_chemical_formula_sum '[Mg4 Ti6 Zn4]'
_cell_volume [255.1322]
_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
[
  Mg  Mg0  4  0.0000  0.3023  0.5000  1
  Ti  Ti1  4  0.0000  0.4334  0.5000  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  4  0.0000  0.1283  0.0000  1
]