data_[Ac4La7Er1]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6457]
_cell_length_b [7.6345]
_cell_length_c [9.5329]
_cell_angle_alpha [89.9117]
_cell_angle_beta [76.5860]
_cell_angle_gamma [89.8198]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac4La7Er]
_chemical_formula_sum '[Ac4 La7 Er1]'
_cell_volume [470.4685]
_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
[
  La  La0  2  0.2149  0.0004  0.3280  1
  Ac  Ac1  2  0.2272  0.4999  0.3289  1
  La  La2  2  0.2758  0.7547  0.6754  1
  Ac  Ac3  2  0.2801  0.2407  0.6730  1
  La  La4  2  0.4972  0.7573  0.9960  1
  La  La5  1  0.0000  0.5000  0.0000  1
  Er  Er6  1  0.0000  0.0000  0.0000  1
]