data_[Zr2Ga4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3420]
_cell_length_b [6.2087]
_cell_length_c [5.2967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZrGa2Ru]
_chemical_formula_sum '[Zr2 Ga4 Ru2]'
_cell_volume [134.3981]
_cell_formula_units_Z [2]
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  2  0.0620  0.2500  0.1556  1.0
  Ga  Ga1  4  0.4057  0.0464  0.7389  1.0
  Ru  Ru2  2  0.1469  0.7500  0.3954  1.0
]