data_[Ca2Ac3La4]
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 [6.6791]
_cell_length_b [6.7278]
_cell_length_c [9.5801]
_cell_angle_alpha [76.6839]
_cell_angle_beta [83.1392]
_cell_angle_gamma [60.4118]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2Ac3La4]
_chemical_formula_sum '[Ca2 Ac3 La4]'
_cell_volume [364.2778]
_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  0.3400  0.1093  0.6679  1
  Ac  Ac1  2  0.0065  0.7692  0.6680  1
  La  La2  2  0.3291  0.3468  0.0040  1
  La  La3  2  0.3348  0.5606  0.3266  1
  Ac  Ac4  1  0.0000  0.0000  0.0000  1
]