data_[Pm1Dy6Y1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [6.5471]
_cell_length_b [6.7302]
_cell_length_c [6.9819]
_cell_angle_alpha [61.2246]
_cell_angle_beta [75.7793]
_cell_angle_gamma [89.7595]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmDy6Y]
_chemical_formula_sum '[Pm1 Dy6 Y1]'
_cell_volume [259.0230]
_cell_formula_units_Z [1]
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
[
  Pm  Pm0  1  0.0000  0.0000  0.0000  1
  Dy  Dy1  2  0.2296  0.5746  0.5209  1
  Dy  Dy2  2  0.2516  0.5445  0.9985  1
  Dy  Dy3  2  0.2709  0.0957  0.4758  1
  Y  Y4  1  0.5000  0.0000  0.0000  1
]