data_[Ac12Te12Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [13.0340]
_cell_length_b [13.0340]
_cell_length_c [6.6742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ac3Te3Se]
_chemical_formula_sum '[Ac12 Te12 Se4]'
_cell_volume [1133.8541]
_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  8  0.1243  0.3631  0.0000  1
  Ac  Ac1  4  0.1159  0.8841  0.0000  1
  Te  Te2  8  0.1243  0.3662  0.5000  1
  Te  Te3  4  0.1228  0.8772  0.5000  1
  Se  Se4  4  0.1234  0.1234  0.0000  1
]