data_[Tb2Ce6Zr4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8367]
_cell_length_b [11.8436]
_cell_length_c [6.8533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCe3(ZrP3)2]
_chemical_formula_sum '[Tb2 Ce6 Zr4 P12]'
_cell_volume [523.1952]
_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  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.1639  0.5000  1.0
  Ce  Ce2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  4  0.0000  0.3325  0.0000  1.0
  P  P4  8  0.2498  0.3290  0.7630  1.0
  P  P5  4  0.2356  0.5000  0.2338  1.0
]