data_BeGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   132.8
_cell_angle_beta   132.8
_cell_angle_gamma   68.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa3
_chemical_formula_sum   'Be1 Ga3'
_cell_volume   62.77
_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  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.05  1.0
  Ga  Ga2  1  0.0  0.97  0.03  1.0
  Ga  Ga3  1  0.97  0.0  0.03  1.0

data_BeGa3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   124.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeGa3
_chemical_formula_sum   'Be2 Ga6'
_cell_volume   125.55
_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  0.0  1.0
  Ga  Ga1  4  0.02  0.02  0.06  1.0
  Ga  Ga2  2  0.0  0.0  0.05  1.0

Be Ga Ga Ga