data_LuGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   135.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuGa2Ni
_chemical_formula_sum   'Lu2 Ga4 Ni2'
_cell_volume   134.05
_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  0.04  0.29  0.66  1.0
  Lu  Lu1  1  0.04  0.71  0.97  1.0
  Ga  Ga2  1  0.04  0.46  0.96  1.0
  Ga  Ga3  1  0.04  0.54  0.66  1.0
  Ga  Ga4  1  0.04  0.46  0.35  1.0
  Ga  Ga5  1  0.04  0.54  0.27  1.0
  Ni  Ni6  1  0.04  0.07  0.66  1.0
  Ni  Ni7  1  0.04  0.93  0.97  1.0

data_LuGa2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.08
_cell_length_b   5.36
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.35
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LuGa2Ni
_chemical_formula_sum   'Lu2 Ga4 Ni2'
_cell_volume   134.05
_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  0.29  0.29  0.66  1.0
  Ga  Ga1  2  0.46  0.46  0.35  1.0
  Ga  Ga2  2  0.46  0.46  0.96  1.0
  Ni  Ni3  2  0.07  0.07  0.66  1.0

Lu Lu Ga Ga Ga Ga Ni Ni