data_[Ca4Nd16Sm6]
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 [C2/m]
_cell_length_a [18.6215]
_cell_length_b [7.9282]
_cell_length_c [6.5164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Nd8Sm3]
_chemical_formula_sum '[Ca4 Nd16 Sm6]'
_cell_volume [940.3435]
_cell_formula_units_Z [2]
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  4  0.1514  0.5000  0.2728  1
  Nd  Nd1  8  0.1759  0.2182  0.7839  1
  Nd  Nd2  4  0.0482  0.5000  0.7099  1
  Nd  Nd3  4  0.1731  0.0000  0.2831  1
  Sm  Sm4  4  0.0000  0.2016  0.0000  1
  Sm  Sm5  2  0.0000  0.0000  0.5000  1
]