data_[Ca2Ac5La2]
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
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7891]
_cell_length_b [6.7920]
_cell_length_c [10.3653]
_cell_angle_alpha [90.1918]
_cell_angle_beta [108.8134]
_cell_angle_gamma [119.9738]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2Ac5La2]
_chemical_formula_sum '[Ca2 Ac5 La2]'
_cell_volume [383.9514]
_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  0.3346  0.6709  0.9993  1
  La  La1  2  0.1025  0.8901  0.6584  1
  Ac  Ac2  2  0.2261  0.7821  0.3370  1
  Ac  Ac3  2  0.4427  0.5536  0.6632  1
  Ac  Ac4  1  0.0000  0.0000  0.0000  1
]