data_[Ac2Zn6Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0295]
_cell_length_b [4.4939]
_cell_length_c [9.5189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac(ZnGa)3]
_chemical_formula_sum '[Ac2 Zn6 Ga6]'
_cell_volume [356.9570]
_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  0.3089  0.7500  0.6682  1
  Zn  Zn1  2  0.0920  0.2500  0.4126  1
  Zn  Zn2  2  0.2818  0.2500  0.9150  1
  Zn  Zn3  2  0.3973  0.7500  0.3009  1
  Ga  Ga4  2  0.0265  0.2500  0.6763  1
  Ga  Ga5  2  0.3707  0.2500  0.4198  1
  Ga  Ga6  2  0.4147  0.7500  0.0449  1
]