data_[Zr1Mo1Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0752]
_cell_length_b [4.5863]
_cell_length_c [4.6366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrMoRu2]
_chemical_formula_sum '[Zr1 Mo1 Ru2]'
_cell_volume [65.3654]
_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  0.3921  0.0000  0.3887  1
  Mo  Mo1  1  0.3226  0.5000  0.8556  1
  Ru  Ru2  1  0.8793  0.0000  0.9016  1
  Ru  Ru3  1  0.9060  0.5000  0.3541  1
]