data_RbNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   4.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbNi3
_chemical_formula_sum   'Rb2 Ni6'
_cell_volume   172.96
_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
  Rb  Rb6  1  0.51  0.03  0.04  1.0
  Rb  Rb7  1  0.0  0.05  0.01  1.0
  Ni  Ni0  1  0.0  0.34  0.04  1.0
  Ni  Ni1  1  0.35  0.41  0.04  1.0
  Ni  Ni2  1  0.65  0.41  0.04  1.0
  Ni  Ni3  1  0.86  0.67  0.01  1.0
  Ni  Ni4  1  0.16  0.67  0.01  1.0
  Ni  Ni5  1  0.51  0.74  0.01  1.0

data_RbNi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.05
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RbNi3
_chemical_formula_sum   'Rb2 Ni6'
_cell_volume   172.96
_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
  Rb  Rb0  2  0.01  0.25  0.99  1.0
  Ni  Ni1  2  0.01  0.1  0.37  1.0
  Ni  Ni2  2  0.01  0.39  0.37  1.0
  Ni  Ni3  2  0.01  0.75  0.3  1.0

Rb Rb Ni Ni Ni Ni Ni Ni
Rb Rb Ni Ni Ni Ni Ni Ni 0 6 o - o 0 4 o o o 0 7 o - o 1 2 o o o 1 5 - - o 1 3 o o o 2 6 o o o 2 3 o o o 3 7 o o o 3 4 o o o 4 5 o o o 5 6 + o o 6 7 o o o 