data_[Ac1Sm1Ga6]
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 [Pmm2]
_cell_length_a [4.4314]
_cell_length_b [6.5281]
_cell_length_c [6.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AcSmGa6]
_chemical_formula_sum '[Ac1 Sm1 Ga6]'
_cell_volume [176.7642]
_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  1  0.0000  0.0000  0.3770  1
  Sm  Sm1  1  0.5000  0.5000  0.6107  1
  Ga  Ga2  2  0.0000  0.2553  0.8557  1
  Ga  Ga3  2  0.5000  0.2835  0.1303  1
  Ga  Ga4  1  0.0000  0.5000  0.2504  1
  Ga  Ga5  1  0.5000  0.0000  0.7900  1
]