data_[Ac4La4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3376]
_cell_length_b [3.4302]
_cell_length_c [8.9864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcLaZr]
_chemical_formula_sum '[Ac4 La4 Zr4]'
_cell_volume [425.7140]
_cell_formula_units_Z [4]
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
[
  La  La0  4  0.0480  0.5000  0.7761  1
  Ac  Ac1  4  0.1996  0.5000  0.1682  1
  Zr  Zr2  4  0.1625  0.5000  0.5119  1
]