data_[Ca2Pm12Dy6Y4]
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
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2934]
_cell_length_b [10.8947]
_cell_length_c [11.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPm6Dy3Y2]
_chemical_formula_sum '[Ca2 Pm12 Dy6 Y4]'
_cell_volume [804.9899]
_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  0.0000  0.0000  1
  Pm  Pm1  8  0.2453  0.3302  0.7464  1
  Pm  Pm2  4  0.2456  0.5000  0.2544  1
  Dy  Dy3  4  0.0000  0.1664  0.5000  1
  Y  Y4  4  0.0000  0.3334  0.0000  1
  Dy  Dy5  2  0.0000  0.5000  0.5000  1
]