data_[Ce2Pm6Nd4P12]
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
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0035]
_cell_length_b [4.1372]
_cell_length_c [8.2749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePm3(NdP3)2]
_chemical_formula_sum '[Ce2 Pm6 Nd4 P12]'
_cell_volume [599.9291]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.0000  1
  Pm  Pm1  4  0.1676  0.0000  0.8327  1
  Pm  Pm2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  4  0.1670  0.0000  0.3347  1
  P  P4  4  0.0008  0.0000  0.7553  1
  P  P5  4  0.1643  0.5000  0.0804  1
  P  P6  4  0.1660  0.5000  0.5848  1
]