data_[In4Ni2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4702]
_cell_length_b [3.3506]
_cell_length_c [5.9419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2NiSe]
_chemical_formula_sum '[In4 Ni2 Se2]'
_cell_volume [174.0505]
_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
[
  In  In0  2  0.0120  0.0000  0.9831  1
  In  In1  2  0.1892  0.0000  0.6318  1
  Ni  Ni2  2  0.4583  0.0000  0.5976  1
  Se  Se3  2  0.3405  0.5000  0.2876  1
]