data_[Ac4In1Te1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0558]
_cell_length_b [4.5512]
_cell_length_c [8.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4InTeSe2]
_chemical_formula_sum '[Ac4 In1 Te1 Se2]'
_cell_volume [282.8421]
_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  0.2362  0.5000  0.2384  1
  Ac  Ac1  2  0.2375  0.0000  0.7473  1
  In  In2  1  0.5000  0.5000  0.0000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  Se  Se4  1  0.0000  0.0000  0.0000  1
  Se  Se5  1  0.0000  0.5000  0.5000  1
]