data_UNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UNi3
_chemical_formula_sum   'U2 Ni6'
_cell_volume   107.7
_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
  U  U6  1  0.0  0.06  0.11  1.0
  U  U7  1  0.65  0.53  0.33  1.0
  Ni  Ni0  1  0.0  0.45  0.33  1.0
  Ni  Ni1  1  0.39  0.86  0.33  1.0
  Ni  Ni2  1  0.61  0.86  0.33  1.0
  Ni  Ni3  1  0.65  0.13  0.11  1.0
  Ni  Ni4  1  0.25  0.72  0.11  1.0
  Ni  Ni5  1  0.04  0.72  0.11  1.0

data_UNi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UNi3
_chemical_formula_sum   'U2 Ni6'
_cell_volume   107.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  U  U0  2  0.11  0.32  0.24  1.0
  Ni  Ni1  2  0.11  0.07  0.57  1.0
  Ni  Ni2  2  0.11  0.29  0.57  1.0
  Ni  Ni3  2  0.11  0.68  0.16  1.0

U U Ni Ni Ni Ni Ni Ni