data_[Ac6Ni2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7425]
_cell_length_b [4.2992]
_cell_length_c [9.5067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac3NiTe]
_chemical_formula_sum '[Ac6 Ni2 Te2]'
_cell_volume [345.6614]
_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  0.0753  0.2500  0.2634  1
  Ac  Ac1  2  0.3021  0.2500  0.9436  1
  Ac  Ac2  2  0.3084  0.7500  0.5885  1
  Ni  Ni3  2  0.0600  0.2500  0.5830  1
  Te  Te4  2  0.3903  0.7500  0.2394  1
]