data_[La24Pm4Ni12]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4825]
_cell_length_b [13.5684]
_cell_length_c [7.3691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La6PmNi3]
_chemical_formula_sum '[La24 Pm4 Ni12]'
_cell_volume [1148.1039]
_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  8  0.1660  0.4572  0.6771  1
  La  La1  8  0.2224  0.1906  0.8145  1
  La  La2  4  0.0000  0.0354  0.1535  1
  La  La3  4  0.0000  0.2249  0.4952  1
  Pm  Pm4  4  0.0000  0.3283  0.0426  1
  Ni  Ni5  8  0.1942  0.0952  0.4684  1
  Ni  Ni6  4  0.0000  0.4209  0.3740  1
]