data_[Ba1Ac1La2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8016]
_cell_length_b [4.4914]
_cell_length_c [7.8308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaAc(LaAs2)2]
_chemical_formula_sum '[Ba1 Ac1 La2 As4]'
_cell_volume [258.8300]
_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
[
  Ba  Ba0  1  0.5000  0.5000  0.0000  1
  Ac  Ac1  1  0.0000  0.0000  0.0000  1
  La  La2  1  0.0000  0.5000  0.5000  1
  La  La3  1  0.5000  0.0000  0.5000  1
  As  As4  2  0.2351  0.0000  0.7278  1
  As  As5  2  0.2486  0.5000  0.2650  1
]