data_[In4P4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7141]
_cell_length_b [5.0725]
_cell_length_c [7.9617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InPRu]
_chemical_formula_sum '[In4 P4 Ru4]'
_cell_volume [238.9569]
_cell_formula_units_Z [4]
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
[
  In  In0  4  0.1476  0.6007  0.3870  1
  P  P1  4  0.3765  0.1720  0.6233  1
  Ru  Ru2  4  0.3198  0.0802  0.3272  1
]