data_[Ac4Mg8Ga12]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [10.5008]
_cell_length_b [8.4311]
_cell_length_c [6.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [AcMg2Ga3]
_chemical_formula_sum '[Ac4 Mg8 Ga12]'
_cell_volume [564.7242]
_cell_formula_units_Z [4]
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  4  0.0000  0.3268  0.2500  1
  Mg  Mg1  8  0.2159  0.0000  0.0000  1
  Ga  Ga2  8  0.1337  0.3072  0.7500  1
  Ga  Ga3  4  0.0000  0.0493  0.7500  1
]