data_[Ca2La6Pm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8141]
_cell_length_b [6.9031]
_cell_length_c [9.4632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(LaPm2)3]
_chemical_formula_sum '[Ca2 La6 Pm12]'
_cell_volume [724.9252]
_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
[
  Ca  Ca0  2  0.0000  0.5000  0.5000  1
  La  La1  4  0.0668  0.5000  0.1641  1
  La  La2  2  0.0000  0.0000  0.0000  1
  Pm  Pm3  8  0.1933  0.2512  0.8052  1
  Pm  Pm4  4  0.1298  0.0000  0.4212  1
]