data_[Ca2Pm16Y4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [18.6348]
_cell_length_b [5.1677]
_cell_length_c [8.1560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(Pm4Y)2]
_chemical_formula_sum '[Ca2 Pm16 Y4]'
_cell_volume [758.6560]
_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  0.0000  1
  Pm  Pm1  4  0.0467  0.0000  0.7195  1
  Pm  Pm2  4  0.0922  0.5000  0.4604  1
  Pm  Pm3  4  0.1403  0.0000  0.1894  1
  Pm  Pm4  4  0.1841  0.5000  0.9097  1
  Y  Y5  4  0.2270  0.0000  0.6368  1
]