data_[Ac4Ni1Te2N1]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7348]
_cell_length_b [4.1474]
_cell_length_c [8.1752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4NiTe2N]
_chemical_formula_sum '[Ac4 Ni1 Te2 N1]'
_cell_volume [247.8540]
_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  0.2266  0.5000  0.2083  1
  Ac  Ac1  2  0.2962  0.0000  0.8053  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  Te  Te3  1  0.0000  0.5000  0.5000  1
  Te  Te4  1  0.5000  0.0000  0.5000  1
  N  N5  1  0.5000  0.5000  0.0000  1
]