data_[Li2Mg2Si1Ni2Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.2139]
_cell_length_b [4.2139]
_cell_length_c [5.9628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2Mg2SiNi2Ge]
_chemical_formula_sum '[Li2 Mg2 Si1 Ni2 Ge1]'
_cell_volume [105.8796]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.0000  0.5000  0.7465  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Mg  Mg2  1  0.5000  0.5000  0.0000  1
  Si  Si3  1  0.5000  0.5000  0.5000  1
  Ni  Ni4  2  0.0000  0.5000  0.2611  1
  Ge  Ge5  1  0.0000  0.0000  0.0000  1
]