data_[Ac3Tm3As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2361]
_cell_length_b [4.2361]
_cell_length_c [21.9964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcTmAs2]
_chemical_formula_sum '[Ac3 Tm3 As6]'
_cell_volume [341.8313]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5024  1
  Tm  Tm1  3  0.0000  0.0000  0.3315  1
  As  As2  3  0.0000  0.0000  0.7405  1
  As  As3  3  0.0000  0.0000  0.9256  1
]