data_[Ac4Co4Se4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4042]
_cell_length_b [6.0610]
_cell_length_c [7.7391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AcCoSe]
_chemical_formula_sum '[Ac4 Co4 Se4]'
_cell_volume [300.3892]
_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  0.2174  0.6316  0.3121  1
  Co  Co1  4  0.1336  0.1107  0.4663  1
  Se  Se2  4  0.2832  0.1270  0.1731  1
]