data_BeGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Ni
_chemical_formula_sum   'Be1 Ga2 Ni1'
_cell_volume   52.59
_cell_formula_units_Z   1
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
  Be  Be0  1  0.0  0.0  0.15  1.0
  Ga  Ga1  1  0.34  0.34  0.96  1.0
  Ga  Ga2  1  0.0  0.0  0.18  1.0
  Ni  Ni3  1  0.34  0.34  0.93  1.0

data_BeGa2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGa2Ni
_chemical_formula_sum   'Be2 Ga4 Ni2'
_cell_volume   105.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.15  1.0
  Ga  Ga1  2  0.0  0.0  0.18  1.0
  Ga  Ga2  2  0.34  0.0  0.96  1.0
  Ni  Ni3  2  0.34  0.0  0.93  1.0

Be Ga Ga Ni
Be Ga Ga Ni 0 2 o o o 1 3 o o o 