data_[Ac2Mg3Cd4In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7660]
_cell_length_b [4.7660]
_cell_length_c [12.0784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ac2Mg3Cd4In]
_chemical_formula_sum '[Ac2 Mg3 Cd4 In1]'
_cell_volume [274.3590]
_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  0.0000  0.5000  0.7501  1
  Mg  Mg1  2  0.0000  0.5000  0.1309  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  Cd  Cd3  2  0.0000  0.5000  0.3600  1
  Cd  Cd4  1  0.0000  0.0000  0.0000  1
  Cd  Cd5  1  0.5000  0.5000  0.0000  1
  In  In6  1  0.5000  0.5000  0.5000  1
]