data_[Ca4La8Pm48]
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 [Cmme]
_cell_length_a [7.2282]
_cell_length_b [11.6702]
_cell_length_c [25.5669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Ca(LaPm6)2]
_chemical_formula_sum '[Ca4 La8 Pm48]'
_cell_volume [2156.7045]
_cell_formula_units_Z [4]
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  4  0.0000  0.2500  0.0001  1
  La  La1  4  0.0000  0.2500  0.2777  1
  La  La2  4  0.0000  0.2500  0.7287  1
  Pm  Pm3  8  0.0000  0.0005  0.9169  1
  Pm  Pm4  8  0.0000  0.0252  0.4418  1
  Pm  Pm5  8  0.2289  0.2500  0.5794  1
  Pm  Pm6  8  0.2483  0.2500  0.1358  1
  Pm  Pm7  8  0.2500  0.0000  0.2036  1
  Pm  Pm8  8  0.2500  0.0000  0.3305  1
]