data_[Nd12P4Rh2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3618]
_cell_length_b [4.1634]
_cell_length_c [8.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6P2RhSe3]
_chemical_formula_sum '[Nd12 P4 Rh2 Se6]'
_cell_volume [632.3329]
_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  4  0.0040  0.0000  0.2410  1.0
  Nd  Nd1  4  0.1613  0.5000  0.0940  1.0
  Nd  Nd2  4  0.1714  0.5000  0.5739  1.0
  P  P3  4  0.1664  0.0000  0.3354  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1684  0.0000  0.8328  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]