data_[La4Pm8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.9335]
_cell_length_b [10.7906]
_cell_length_c [7.8200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LaPm2C3]
_chemical_formula_sum '[La4 Pm8 C12]'
_cell_volume [500.6860]
_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
[
  La  La0  4  0.0000  0.2500  0.4660  1
  Pm  Pm1  8  0.0000  0.0766  0.8338  1
  C  C2  8  0.1137  0.0000  0.5000  1
  C  C3  4  0.2500  0.2500  0.7500  1
]