data_[Ac7Sm4Er1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9950]
_cell_length_b [7.1496]
_cell_length_c [10.0212]
_cell_angle_alpha [89.7480]
_cell_angle_beta [76.2859]
_cell_angle_gamma [84.1187]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ac7Sm4Er]
_chemical_formula_sum '[Ac7 Sm4 Er1]'
_cell_volume [484.2146]
_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
[
  Ac  Ac0  2  0.2021  0.1270  0.4007  1
  Ac  Ac1  2  0.2963  0.6741  0.6326  1
  Ac  Ac2  2  0.4902  0.2485  0.0590  1
  Ac  Ac3  1  0.0000  0.5000  0.0000  1
  Sm  Sm4  2  0.1642  0.6429  0.2918  1
  Sm  Sm5  2  0.3505  0.1770  0.7308  1
  Er  Er6  1  0.0000  0.0000  0.0000  1
]