data_BeGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.18
_cell_angle_alpha   108.23
_cell_angle_beta   108.23
_cell_angle_gamma   35.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaRu2
_chemical_formula_sum   'Be1 Ga1 Ru2'
_cell_volume   51.14
_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  0.78  0.0  0.12  1.0
  Ga  Ga1  1  0.46  0.0  0.89  1.0
  Ru  Ru2  1  0.89  0.0  0.12  1.0
  Ru  Ru3  1  0.2  0.0  0.78  1.0

data_BeGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.18
_cell_length_c   4.71
_cell_angle_alpha   108.23
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaRu2
_chemical_formula_sum   'Be1 Ga1 Ru2'
_cell_volume   51.14
_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  0.12  0.78  1.0
  Ga  Ga1  1  0.0  0.89  0.46  1.0
  Ru  Ru2  1  0.0  0.12  0.89  1.0
  Ru  Ru3  1  0.0  0.78  0.2  1.0

Be Ga Ru Ru