data_[Ac4Co1Se1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6071]
_cell_length_b [4.2494]
_cell_length_c [7.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4CoSeS2]
_chemical_formula_sum '[Ac4 Co1 Se1 S2]'
_cell_volume [236.7633]
_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  0.2327  0.5000  0.2268  1
  Ac  Ac1  2  0.2536  0.0000  0.7616  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
  Se  Se3  1  0.0000  0.5000  0.5000  1
  S  S4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.5000  0.5000  0.0000  1
]