data_[Ce6Sm2Zr4P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  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 [6.8585]
_cell_length_b [11.8824]
_cell_length_c [6.8722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Sm(ZrP3)2]
_chemical_formula_sum '[Ce6 Sm2 Zr4 P12]'
_cell_volume [527.9401]
_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  0.1633  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Zr  Zr3  4  0.0000  0.3323  0.0000  1.0
  P  P4  8  0.2478  0.3275  0.7614  1.0
  P  P5  4  0.2329  0.5000  0.2348  1.0
]