data_[Ac2Hf2Be2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3824]
_cell_length_b [3.9531]
_cell_length_c [8.8354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcHfBeAs3]
_chemical_formula_sum '[Ac2 Hf2 Be2 As6]'
_cell_volume [280.3796]
_cell_formula_units_Z [2]
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  0.1975  0.7500  0.2405  1
  Hf  Hf1  2  0.3295  0.2500  0.8524  1
  Be  Be2  2  0.0861  0.7500  0.5939  1
  As  As3  2  0.1085  0.7500  0.8628  1
  As  As4  2  0.2077  0.2500  0.5275  1
  As  As5  2  0.4571  0.2500  0.1733  1
]