data_[Pm2Nd6Pa4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0713]
_cell_length_b [12.2478]
_cell_length_c [7.0860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmNd3(PaP3)2]
_chemical_formula_sum '[Pm2 Nd6 Pa4 P12]'
_cell_volume [578.8244]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0000  0.1644  0.5000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Pa  Pa3  4  0.0000  0.3330  0.0000  1
  P  P4  8  0.2494  0.3283  0.7638  1
  P  P5  4  0.2354  0.5000  0.2361  1
]