data_[Ce1Pr1Si4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5265]
_cell_length_b [4.1124]
_cell_length_c [8.3677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CePr(Si2Ru)2]
_chemical_formula_sum '[Ce1 Pr1 Si4 Ru2]'
_cell_volume [152.3174]
_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
[
  Ce  Ce0  1  0.5871  0.0000  0.6998  1
  Pr  Pr1  1  0.4116  0.5000  0.2989  1
  Si  Si2  1  0.0372  0.5000  0.5907  1
  Si  Si3  1  0.3325  0.0000  0.0092  1
  Si  Si4  1  0.6683  0.5000  0.9924  1
  Si  Si5  1  0.9624  0.0000  0.4081  1
  Ru  Ru6  1  0.1209  0.5000  0.8886  1
  Ru  Ru7  1  0.8800  0.0000  0.1123  1
]