data_[Mg2In4Ni4]
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 [P2_1/m]
_cell_length_a [5.2362]
_cell_length_b [4.3292]
_cell_length_c [8.1119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg(InNi)2]
_chemical_formula_sum '[Mg2 In4 Ni4]'
_cell_volume [175.2085]
_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  2  0.4456  0.7500  0.2459  1.0
  In  In1  2  0.0770  0.7500  0.8884  1.0
  In  In2  2  0.1895  0.7500  0.5526  1.0
  Ni  Ni3  2  0.3108  0.2500  0.4067  1.0
  Ni  Ni4  2  0.4010  0.2500  0.0562  1.0
]