data_ZrGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   137.4
_cell_angle_beta   137.4
_cell_angle_gamma   61.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaRu2
_chemical_formula_sum   'Zr1 Ga1 Ru2'
_cell_volume   63.67
_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
  Zr  Zr3  1  0.0  0.89  0.23  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.89  0.0  0.23  1.0
  Ru  Ru2  1  0.0  0.0  0.46  1.0

data_ZrGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   5.2
_cell_angle_alpha   111.3
_cell_angle_beta   111.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaRu2
_chemical_formula_sum   'Zr1 Ga1 Ru2'
_cell_volume   63.67
_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
  Zr  Zr0  1  0.34  0.23  0.34  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.23  0.34  0.34  1.0
  Ru  Ru3  1  0.46  0.46  0.46  1.0

Zr Ga Ru Ru