data_[Ca2Nd4Sm5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3961]
_cell_length_b [8.2227]
_cell_length_c [8.2506]
_cell_angle_alpha [107.4875]
_cell_angle_beta [105.1381]
_cell_angle_gamma [97.4870]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2Nd4Sm5]
_chemical_formula_sum '[Ca2 Nd4 Sm5]'
_cell_volume [389.1052]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  2  0.3661  0.2706  0.9549  1
  Nd  Nd1  2  0.2663  0.4537  0.5790  1
  Nd  Nd2  2  0.4514  0.0922  0.3280  1
  Sm  Sm3  2  0.0841  0.8137  0.8590  1
  Sm  Sm4  2  0.1762  0.6395  0.2339  1
  Sm  Sm5  1  0.0000  0.0000  0.5000  1
]