data_[Ni7Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [7.4169]
_cell_length_b [7.4169]
_cell_length_c [19.8016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Ni7Se10]
_chemical_formula_sum '[Ni7 Se10]'
_cell_volume [943.3536]
_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
[
  Ni  Ni0  6  0.2005  0.4103  0.5186  1
  Ni  Ni1  1  0.0000  0.0000  0.6485  1
  Se  Se2  6  0.1027  0.7134  0.4060  1
  Se  Se3  3  0.0000  0.5000  0.5873  1
  Se  Se4  1  0.0000  0.0000  0.5416  1
]