data_[Ac4Rh1Pb1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
  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 [7.9218]
_cell_length_b [4.5402]
_cell_length_c [8.0278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4RhPbSe2]
_chemical_formula_sum '[Ac4 Rh1 Pb1 Se2]'
_cell_volume [273.3614]
_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  0.2665  0.0000  0.7628  1
  Ac  Ac1  2  0.2728  0.5000  0.2381  1
  Rh  Rh2  1  0.5000  0.5000  0.0000  1
  Pb  Pb3  1  0.0000  0.0000  0.0000  1
  Se  Se4  1  0.0000  0.5000  0.5000  1
  Se  Se5  1  0.5000  0.0000  0.5000  1
]