data_[Ac4P1Pb1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8994]
_cell_length_b [4.5968]
_cell_length_c [7.9622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4PPbSe2]
_chemical_formula_sum '[Ac4 P1 Pb1 Se2]'
_cell_volume [272.1937]
_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  0.2403  0.5000  0.2370  1
  Ac  Ac1  2  0.2491  0.0000  0.7607  1
  P  P2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  1  0.0000  0.5000  0.5000  1
  Se  Se4  1  0.5000  0.0000  0.5000  1
  Se  Se5  1  0.5000  0.5000  0.0000  1
]