data_[Nd2Sm6Y4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0797]
_cell_length_b [12.2613]
_cell_length_c [7.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm3(YP3)2]
_chemical_formula_sum '[Nd2 Sm6 Y4 P12]'
_cell_volume [579.5371]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.1658  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Y  Y3  4  0.0000  0.3330  0.0000  1
  P  P4  8  0.2483  0.3310  0.7522  1
  P  P5  4  0.2443  0.5000  0.2471  1
]