data_BeCu2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.46
_cell_angle_alpha   109.5
_cell_angle_beta   109.5
_cell_angle_gamma   32.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Ru
_chemical_formula_sum   'Be1 Cu2 Ru1'
_cell_volume   46.35
_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  0.93  0.0  0.28  1.0
  Cu  Cu1  1  0.69  0.0  0.03  1.0
  Cu  Cu2  1  0.03  0.0  0.32  1.0
  Ru  Ru3  1  0.52  0.0  0.82  1.0

data_BeCu2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.46
_cell_length_c   4.53
_cell_angle_alpha   109.5
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCu2Ru
_chemical_formula_sum   'Be1 Cu2 Ru1'
_cell_volume   46.35
_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  0.28  0.93  1.0
  Cu  Cu1  1  0.0  0.03  0.69  1.0
  Cu  Cu2  1  0.0  0.32  0.03  1.0
  Ru  Ru3  1  0.0  0.82  0.52  1.0

Be Cu Cu Ru