data_[Mg24Zn4In10]
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 [12.7220]
_cell_length_b [9.0638]
_cell_length_c [7.5200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg12Zn2In5]
_chemical_formula_sum '[Mg24 Zn4 In10]'
_cell_volume [866.9276]
_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  0.1081  0.2779  0.3674  1
  Mg  Mg1  8  0.1537  0.1928  0.7691  1
  Mg  Mg2  4  0.0511  0.5000  0.7213  1
  Mg  Mg3  4  0.1013  0.0000  0.1093  1
  Zn  Zn4  4  0.0000  0.2815  0.0000  1
  In  In5  4  0.1727  0.5000  0.0709  1
  In  In6  4  0.2436  0.0000  0.4410  1
  In  In7  2  0.0000  0.0000  0.5000  1
]