data_[Pr4Mn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [5.4949]
_cell_length_b [5.5011]
_cell_length_c [7.5571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [PrMnC2]
_chemical_formula_sum '[Pr4 Mn4 C8]'
_cell_volume [224.0187]
_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
[
  Pr  Pr0  4  0.0055  0.0680  0.9962  1.0
  Mn  Mn1  4  0.0563  0.4332  0.6947  1.0
  C  C2  4  0.3279  0.1870  0.7761  1.0
  C  C3  4  0.4768  0.0806  0.9299  1.0
]