data_Zr2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   38.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AsRu
_chemical_formula_sum   'Zr2 As1 Ru1'
_cell_volume   75.25
_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  Zr2  1  0.0  0.0  0.14  1.0
  Zr  Zr3  1  0.07  0.0  0.39  1.0
  As  As0  1  0.0  0.0  0.96  1.0
  Ru  Ru1  1  0.07  0.0  0.69  1.0

data_Zr2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.14
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AsRu
_chemical_formula_sum   'Zr2 As1 Ru1'
_cell_volume   75.25
_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  0.61  0.07  0.61  1.0
  Zr  Zr1  1  0.86  0.0  0.86  1.0
  As  As2  1  0.04  0.0  0.04  1.0
  Ru  Ru3  1  0.31  0.07  0.31  1.0

Zr Zr As Ru