data_[Pr4Co1Ru1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9500]
_cell_length_b [4.0721]
_cell_length_c [8.0741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4CoRuCl2]
_chemical_formula_sum '[Pr4 Co1 Ru1 Cl2]'
_cell_volume [217.8003]
_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
[
  Pr  Pr0  2  0.2372  0.5000  0.2065  1.0
  Pr  Pr1  2  0.2700  0.0000  0.7978  1.0
  Co  Co2  1  0.5000  0.5000  0.0000  1.0
  Ru  Ru3  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.0000  0.5000  1.0
]