data_[Ac4Pm4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pm  1.1300  1.8500  1.1100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1034]
_cell_length_b [4.0397]
_cell_length_c [7.5052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcPmSe]
_chemical_formula_sum '[Ac4 Pm4 Se4]'
_cell_volume [448.2922]
_cell_formula_units_Z [4]
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  4  0.1949  0.0000  0.7099  1
  Pm  Pm1  4  0.0386  0.5000  0.2837  1
  Se  Se2  4  0.1295  0.5000  0.9830  1
]