data_[La3Tb36Pm21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3160]
_cell_length_b [12.3160]
_cell_length_c [15.4999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LaTb12Pm7]
_chemical_formula_sum '[La3 Tb36 Pm21]'
_cell_volume [2036.0998]
_cell_formula_units_Z [3]
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
[
  Tb  Tb0  18  0.0172  0.5738  0.2062  1
  Tb  Tb1  18  0.0443  0.8579  0.3005  1
  La  La2  3  0.0000  0.0000  0.0000  1
  Pm  Pm3  18  0.0517  0.4652  0.5875  1
  Pm  Pm4  3  -0.0000  0.0000  0.5000  1
]