data_BeInRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   22.57
_cell_angle_beta   22.57
_cell_angle_gamma   22.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeInRu2
_chemical_formula_sum   'Be1 In1 Ru2'
_cell_volume   57.32
_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
  In  In1  1  0.0  0.0  0.15  1.0
  Ru  Ru2  1  0.0  0.0  0.35  1.0
  Ru  Ru3  1  0.0  0.0  0.94  1.0

data_BeInRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   2.98
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   103.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeInRu2
_chemical_formula_sum   'Be2 In2 Ru4'
_cell_volume   114.65
_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
  In  In1  2  0.0  0.0  0.85  1.0
  Ru  Ru2  2  -0.0  0.0  0.06  1.0
  Ru  Ru3  2  0.0  0.0  0.65  1.0

Be In Ru Ru
Be In Ru Ru 0 3 o o - 0 1 o o o 1 2 o o o 