data_[Ac4Ga4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1240]
_cell_length_b [10.1139]
_cell_length_c [4.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcGaTe3]
_chemical_formula_sum '[Ac4 Ga4 Te12]'
_cell_volume [710.1582]
_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  0.2313  0.0000  0.2659  1
  Ga  Ga1  4  0.0000  0.3159  0.5000  1
  Te  Te2  8  0.1424  0.7987  0.7611  1
  Te  Te3  4  0.1008  0.5000  0.2359  1
]