data_LaNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi3
_chemical_formula_sum   'La4 Ni12'
_cell_volume   250.85
_cell_formula_units_Z   4
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
  La  La0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.41  1.0
  La  La2  1  0.0  0.31  0.2  1.0
  La  La3  1  0.87  0.65  0.61  1.0
  Ni  Ni4  1  0.57  0.48  0.0  1.0
  Ni  Ni5  1  0.57  0.48  0.41  1.0
  Ni  Ni6  1  0.0  0.93  0.61  1.0
  Ni  Ni7  1  0.8  0.0  0.61  1.0
  Ni  Ni8  1  0.67  0.96  0.2  1.0
  Ni  Ni9  1  0.87  0.0  0.0  1.0
  Ni  Ni10  1  0.87  0.0  0.41  1.0
  Ni  Ni11  1  0.43  0.48  0.0  1.0
  Ni  Ni12  1  0.43  0.48  0.41  1.0
  Ni  Ni13  1  0.2  0.0  0.61  1.0
  Ni  Ni14  1  0.06  0.96  0.2  1.0
  Ni  Ni15  1  0.87  0.04  0.2  1.0

data_LaNi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi3
_chemical_formula_sum   'La4 Ni12'
_cell_volume   250.85
_cell_formula_units_Z   4
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
  La  La0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.41  1.0
  La  La2  1  0.0  0.31  0.2  1.0
  La  La3  1  0.87  0.65  0.61  1.0
  Ni  Ni4  1  0.0  0.93  0.61  1.0
  Ni  Ni5  1  0.06  0.96  0.2  1.0
  Ni  Ni6  1  0.2  0.0  0.61  1.0
  Ni  Ni7  1  0.43  0.48  -0.0  1.0
  Ni  Ni8  1  0.43  0.48  0.41  1.0
  Ni  Ni9  1  0.57  0.48  -0.0  1.0
  Ni  Ni10  1  0.57  0.48  0.41  1.0
  Ni  Ni11  1  0.67  0.96  0.2  1.0
  Ni  Ni12  1  0.8  0.0  0.61  1.0
  Ni  Ni13  1  0.87  0.0  -0.0  1.0
  Ni  Ni14  1  0.87  0.0  0.41  1.0
  Ni  Ni15  1  0.87  0.04  0.2  1.0

La La La La Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
La La La La Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 9 - o o 1 10 - o o 2 15 - o o 3 6 + o o 4 11 o o o 5 12 o o o 6 13 o + o 6 7 - + o 8 15 o + o 14 15 - + o 