data_[Ce6Tm2Zr4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  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 [6.8103]
_cell_length_b [11.7975]
_cell_length_c [6.8210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Tm(ZrP3)2]
_chemical_formula_sum '[Ce6 Tm2 Zr4 P12]'
_cell_volume [516.7367]
_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  4  0.0000  0.1647  0.5000  1
  Ce  Ce1  2  0.0000  0.5000  0.5000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Zr  Zr3  4  0.0000  0.3328  0.0000  1
  P  P4  8  0.2480  0.1695  0.2350  1
  P  P5  4  0.2383  0.5000  0.2326  1
]