data_[Ni10Ge2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6301]
_cell_length_b [3.6301]
_cell_length_c [18.4199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ni5GeSe2]
_chemical_formula_sum '[Ni10 Ge2 Se4]'
_cell_volume [242.7256]
_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
[
  Ni  Ni0  8  0.0000  0.5000  0.0946  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  4  0.0000  0.0000  0.1741  1.0
]