data_BeRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   99.13
_cell_angle_beta   99.13
_cell_angle_gamma   133.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRu4
_chemical_formula_sum   'Be1 Ru4'
_cell_volume   65.89
_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
  Ru  Ru1  1  0.41  0.23  0.0  1.0
  Ru  Ru2  1  0.23  0.58  0.0  1.0
  Ru  Ru3  1  0.59  0.77  0.84  1.0
  Ru  Ru4  1  0.77  0.41  0.84  1.0

data_BeRu4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   80.87
_cell_angle_beta   66.52
_cell_angle_gamma   66.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRu4
_chemical_formula_sum   'Be1 Ru4'
_cell_volume   65.89
_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
  Ru  Ru1  1  0.23  0.0  0.18  1.0
  Ru  Ru2  1  0.58  0.84  0.35  1.0
  Ru  Ru3  1  0.58  -0.0  0.65  1.0
  Ru  Ru4  1  0.93  0.84  0.82  1.0

Be Ru Ru Ru Ru