data_LuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   3.3
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNi
_chemical_formula_sum   'Lu2 Ni2'
_cell_volume   72.21
_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
  Lu  Lu0  1  0.17  0.65  0.16  1.0
  Lu  Lu1  1  0.5  0.65  0.53  1.0
  Ni  Ni2  1  0.5  0.0  0.24  1.0
  Ni  Ni3  1  0.17  0.0  0.45  1.0

data_LuNi
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.67
_cell_length_b   3.3
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   LuNi
_chemical_formula_sum   'Lu2 Ni2'
_cell_volume   72.21
_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
  Lu  Lu0  2  0.17  0.65  0.19  1.0
  Ni  Ni1  2  0.17  0.0  0.89  1.0

Lu Lu Ni Ni