data_[Pr6Os2C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Os  2.2000  1.3000  0.6730
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7271]
_cell_length_b [3.7749]
_cell_length_c [4.5383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3OsC4]
_chemical_formula_sum '[Pr6 Os2 C8]'
_cell_volume [282.2218]
_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
[
  Pr  Pr0  4  0.1747  0.5000  0.2072  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Os  Os2  2  0.0000  0.0000  0.0000  1.0
  C  C3  4  0.1011  0.0000  0.8261  1.0
  C  C4  4  0.1705  0.0000  0.7179  1.0
]