data_[Ce6Sm4Dy2P12]
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
  Dy  1.2200  1.7500  1.1310
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0942]
_cell_length_b [12.2908]
_cell_length_c [7.0833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Sm2DyP6]
_chemical_formula_sum '[Ce6 Sm4 Dy2 P12]'
_cell_volume [582.2320]
_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  0.1673  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3336  0.0000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  P  P4  8  0.2486  0.1650  0.2511  1.0
  P  P5  4  0.2458  0.0000  0.7482  1.0
]