data_[Ca4Ac4Pr10]
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 [C2/m]
_cell_length_a [23.4126]
_cell_length_b [3.7051]
_cell_length_c [8.4869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Ac2Pr5]
_chemical_formula_sum '[Ca4 Ac4 Pr10]'
_cell_volume [732.1002]
_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  4  0.1869  0.0000  0.1278  1
  Ac  Ac1  4  0.0553  0.5000  0.3452  1
  Pr  Pr2  4  0.0939  0.0000  0.7395  1
  Pr  Pr3  4  0.1919  0.5000  0.5499  1
  Pr  Pr4  2  0.0000  0.0000  0.0000  1
]