data_[Pr4Ag4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5152]
_cell_length_b [4.0484]
_cell_length_c [7.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAgC]
_chemical_formula_sum '[Pr4 Ag4 C4]'
_cell_volume [242.1050]
_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  0.1138  0.0000  0.8145  1.0
  Ag  Ag1  4  0.1418  0.5000  0.4485  1.0
  C  C2  4  0.0787  0.5000  0.0457  1.0
]