data_[Ac2Pr7Y1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4870]
_cell_length_b [6.5090]
_cell_length_c [9.9464]
_cell_angle_alpha [102.4364]
_cell_angle_beta [108.9005]
_cell_angle_gamma [99.7235]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac2Pr7Y]
_chemical_formula_sum '[Ac2 Pr7 Y1]'
_cell_volume [374.8355]
_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
[
  Ac  Ac0  2  0.2017  0.1031  0.7043  1
  Pr  Pr1  2  0.1972  0.5939  0.1966  1
  Pr  Pr2  2  0.3997  0.7020  0.9002  1
  Pr  Pr3  2  0.4020  0.2030  0.3983  1
  Pr  Pr4  1  0.0000  0.5000  0.5000  1
  Y  Y5  1  0.0000  0.0000  0.0000  1
]