data_[Ce4Pm16Sm4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.7089]
_cell_length_b [11.8166]
_cell_length_c [10.2381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CePm4Sm]
_chemical_formula_sum '[Ce4 Pm16 Sm4]'
_cell_volume [811.6430]
_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
[
  Ce  Ce0  4  0.2500  0.2500  0.2500  1
  Pm  Pm1  8  0.0000  0.0071  0.3336  1
  Pm  Pm2  8  0.2463  0.2500  0.5787  1
  Sm  Sm3  4  0.0000  0.0000  0.0000  1
]