data_[Ca4Ac10La10]
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 [C2/m]
_cell_length_a [16.2147]
_cell_length_b [5.5095]
_cell_length_c [12.2163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8810]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2(AcLa)5]
_chemical_formula_sum '[Ca4 Ac10 La10]'
_cell_volume [981.8867]
_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  0.0835  0.0000  0.7537  1
  La  La1  4  0.0862  0.5000  0.2474  1
  Ac  Ac2  4  0.1649  0.0000  0.4978  1
  La  La3  4  0.1662  0.5000  0.0041  1
  Ac  Ac4  4  0.2479  0.0000  0.2464  1
  Ac  Ac5  2  0.0000  0.0000  0.0000  1
  La  La6  2  0.0000  0.5000  0.5000  1
]