data_[Ce2Sm6Zr4P12]
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 [6.8745]
_cell_length_b [11.9029]
_cell_length_c [6.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSm3(ZrP3)2]
_chemical_formula_sum '[Ce2 Sm6 Zr4 P12]'
_cell_volume [534.1483]
_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  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1642  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Zr  Zr3  4  0.0000  0.3336  0.0000  1.0
  P  P4  8  0.2496  0.1714  0.2347  1.0
  P  P5  4  0.2345  0.5000  0.2314  1.0
]