data_[Zr2P4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1631]
_cell_length_b [4.0481]
_cell_length_c [9.0283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr(PRu)2]
_chemical_formula_sum '[Zr2 P4 Ru4]'
_cell_volume [151.6314]
_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  0.2862  0.7500  0.7458  1.0
  P  P1  2  0.2252  0.7500  0.3601  1.0
  P  P2  2  0.3389  0.2500  0.0047  1.0
  Ru  Ru3  2  0.1650  0.7500  0.0988  1.0
  Ru  Ru4  2  0.2506  0.2500  0.4982  1.0
]