data_[Ac4Te1Ir2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6230]
_cell_length_b [4.4014]
_cell_length_c [8.1558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4TeIr2Se]
_chemical_formula_sum '[Ac4 Te1 Ir2 Se1]'
_cell_volume [259.8513]
_cell_formula_units_Z [1]
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  0.2331  0.0000  0.7124  1
  Ac  Ac1  2  0.2557  0.5000  0.2820  1
  Te  Te2  1  0.5000  0.5000  0.0000  1
  Ir  Ir3  1  0.0000  0.5000  0.5000  1
  Ir  Ir4  1  0.5000  0.0000  0.5000  1
  Se  Se5  1  0.0000  0.0000  0.0000  1
]