data_[Ac1In2Bi1Te4]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1088]
_cell_length_b [4.6778]
_cell_length_c [8.3643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [AcIn2BiTe4]
_chemical_formula_sum '[Ac1 In2 Bi1 Te4]'
_cell_volume [300.2284]
_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  1  0.5000  0.0000  0.5000  1
  In  In1  1  0.0000  0.0000  0.0000  1
  In  In2  1  0.5000  0.5000  0.0000  1
  Bi  Bi3  1  0.0000  0.5000  0.5000  1
  Te  Te4  2  0.2344  0.0000  0.7316  1
  Te  Te5  2  0.2462  0.5000  0.2636  1
]