data_[Ce2Pm10Y12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2573]
_cell_length_b [10.8342]
_cell_length_c [11.8713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePm5Y6]
_chemical_formula_sum '[Ce2 Pm10 Y12]'
_cell_volume [792.3221]
_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
  Pm  Pm1  4  0.0000  0.1673  0.5000  1
  Pm  Pm2  4  0.0000  0.3333  0.0000  1
  Pm  Pm3  2  0.0000  0.5000  0.5000  1
  Y  Y4  8  0.2486  0.1656  0.2488  1
  Y  Y5  4  0.2478  0.0000  0.7512  1
]