data_Ni5Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Se
_chemical_formula_sum   'Ni5 Se1'
_cell_volume   68.81
_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  1  0.89  0.0  0.07  1.0
  Ni  Ni1  1  0.74  0.29  0.07  1.0
  Ni  Ni2  1  0.55  0.5  0.07  1.0
  Ni  Ni3  1  0.19  0.26  0.0  1.0
  Ni  Ni4  1  0.0  0.53  0.0  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

data_Ni5Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni5Se
_chemical_formula_sum   'Ni5 Se1'
_cell_volume   68.81
_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  1  -0.0  0.19  0.26  1.0
  Ni  Ni1  1  -0.0  -0.0  0.53  1.0
  Ni  Ni2  1  0.07  0.55  0.5  1.0
  Ni  Ni3  1  0.07  0.74  0.29  1.0
  Ni  Ni4  1  0.07  0.89  0.0  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

Ni Ni Ni Ni Ni Se