data_[Ac2Sm2Ga2]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7777]
_cell_length_b [3.7777]
_cell_length_c [13.3513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [AcSmGa]
_chemical_formula_sum '[Ac2 Sm2 Ga2]'
_cell_volume [190.5336]
_cell_formula_units_Z [2]
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  0.3136  1
  Sm  Sm1  2  0.0000  0.0000  0.0316  1
  Ga  Ga2  2  0.0000  0.0000  0.6548  1
]