data_BeRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   20.22
_cell_angle_beta   20.22
_cell_angle_gamma   20.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRu2Cl
_chemical_formula_sum   'Be1 Ru2 Cl1'
_cell_volume   55.7
_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  0.79  1.0
  Ru  Ru2  1  0.0  0.0  0.64  1.0
  Ru  Ru3  1  0.0  0.0  0.78  1.0
  Cl  Cl1  1  0.0  0.0  0.33  1.0

data_BeRu2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.85
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeRu2Cl
_chemical_formula_sum   'Be2 Ru4 Cl2'
_cell_volume   111.41
_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  0.21  1.0
  Ru  Ru1  2  0.0  0.0  0.22  1.0
  Ru  Ru2  2  0.0  0.0  0.36  1.0
  Cl  Cl3  2  0.0  0.0  0.67  1.0

Be Ru Ru Cl