data_[Ca2Ac5Pr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.5627]
_cell_length_b [3.7596]
_cell_length_c [12.6619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2Ac5Pr4]
_chemical_formula_sum '[Ca2 Ac5 Pr4]'
_cell_volume [453.3329]
_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
[
  Ca  Ca0  2  0.0534  0.0000  0.6354  1
  Ac  Ac1  2  0.1956  0.0000  0.1640  1
  Ac  Ac2  2  0.4314  0.0000  0.7009  1
  Ac  Ac3  1  0.5000  0.0000  0.0000  1
  Pr  Pr4  2  0.1550  0.5000  0.8981  1
  Pr  Pr5  2  0.3016  0.5000  0.4485  1
]