data_YBeGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   40.76
_cell_angle_beta   40.76
_cell_angle_gamma   40.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeGa2
_chemical_formula_sum   'Y1 Be1 Ga2'
_cell_volume   71.66
_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
  Y  Y3  1  0.0  0.0  0.84  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.48  1.0
  Ga  Ga2  1  0.0  0.0  0.2  1.0

data_YBeGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   3.98
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   113.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBeGa2
_chemical_formula_sum   'Y2 Be2 Ga4'
_cell_volume   143.33
_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
  Y  Y0  2  0.0  0.0  0.16  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.52  1.0
  Ga  Ga3  2  0.0  0.0  0.8  1.0

Y Be Ga Ga
Y Be Ga Ga 0 1 o o + 1 3 o o o 2 3 o o o 