data_[Ac3Mg2In1]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1157]
_cell_length_b [4.1157]
_cell_length_c [12.3190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ac3Mg2In]
_chemical_formula_sum '[Ac3 Mg2 In1]'
_cell_volume [208.6732]
_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  0.0000  0.3359  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.5000  0.5000  0.1636  1
  In  In3  1  0.5000  0.5000  0.5000  1
]