data_BeP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.83
_cell_angle_alpha   105.83
_cell_angle_beta   105.83
_cell_angle_gamma   48.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2Ru
_chemical_formula_sum   'Be1 P2 Ru1'
_cell_volume   63.0
_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  0.22  0.0  0.86  1.0
  P  P1  1  0.18  0.0  0.17  1.0
  P  P2  1  0.66  0.0  0.74  1.0
  Ru  Ru3  1  0.96  0.0  0.75  1.0

data_BeP2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.26
_cell_length_c   4.83
_cell_angle_alpha   105.83
_cell_angle_beta   90.0
_cell_angle_gamma   114.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeP2Ru
_chemical_formula_sum   'Be1 P2 Ru1'
_cell_volume   63.0
_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  0.78  0.14  1.0
  P  P1  1  0.0  0.34  0.26  1.0
  P  P2  1  0.0  0.82  0.83  1.0
  Ru  Ru3  1  0.0  0.04  0.25  1.0

Be P P Ru
Be P P Ru 0 3 - o o 0 1 o o + 2 3 o o o 