data_[Tb6Nd2Er4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9854]
_cell_length_b [12.0979]
_cell_length_c [6.9861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Nd(ErP3)2]
_chemical_formula_sum '[Tb6 Nd2 Er4 P12]'
_cell_volume [556.6442]
_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
[
  Tb  Tb0  4  0.0000  0.1655  0.5000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3330  0.0000  1.0
  P  P4  8  0.2466  0.3301  0.7494  1.0
  P  P5  4  0.2435  0.5000  0.2498  1.0
]