data_BeNiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   148.44
_cell_angle_beta   148.44
_cell_angle_gamma   45.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiRu
_chemical_formula_sum   'Be1 Ni1 Ru1'
_cell_volume   32.16
_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  0.08  1.0
  Ni  Ni1  1  0.0  0.0  0.86  1.0
  Ru  Ru2  1  0.0  0.0  0.11  1.0

data_BeNiRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   112.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNiRu
_chemical_formula_sum   'Be2 Ni2 Ru2'
_cell_volume   64.33
_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  0.92  1.0
  Ni  Ni1  2  0.0  0.0  0.14  1.0
  Ru  Ru2  2  0.0  0.0  0.89  1.0

Be Ni Ru
Be Ni Ru 0 2 o o o 0 1 o o - 1 2 o o + 