data_[Ac2Sm10Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2956]
_cell_length_b [12.6910]
_cell_length_c [7.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcSm5Se6]
_chemical_formula_sum '[Ac2 Sm10 Se12]'
_cell_volume [639.2137]
_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  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.1618  0.5000  1
  Sm  Sm2  4  0.0000  0.3322  0.0000  1
  Sm  Sm3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2415  0.3281  0.7416  1
  Se  Se5  4  0.2393  0.5000  0.2522  1
]