data_[Mg16Zn2In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0181]
_cell_length_b [13.5628]
_cell_length_c [5.1708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8ZnIn2]
_chemical_formula_sum '[Mg16 Zn2 In4]'
_cell_volume [511.8951]
_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  8  0.2076  0.8903  0.1244  1
  Mg  Mg1  4  0.0000  0.2046  0.5000  1
  Mg  Mg2  4  0.1183  0.5000  0.3110  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
  In  In4  4  0.0000  0.3039  0.0000  1
]