data_[Mg16In4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1974]
_cell_length_b [12.3543]
_cell_length_c [5.2447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg4InNi]
_chemical_formula_sum '[Mg16 In4 Ni4]'
_cell_volume [498.9111]
_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  8  0.1103  0.1699  0.5624  1
  Mg  Mg1  8  0.2248  0.4203  0.8542  1
  In  In2  4  0.0000  0.3753  0.2500  1
  Ni  Ni3  4  0.0000  0.0017  0.7500  1
]