data_[Ac2Cu1Os1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2690]
_cell_length_b [6.4221]
_cell_length_c [6.6332]
_cell_angle_alpha [117.0498]
_cell_angle_beta [91.6563]
_cell_angle_gamma [113.0670]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ac2CuOsS6]
_chemical_formula_sum '[Ac2 Cu1 Os1 S6]'
_cell_volume [211.7206]
_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  1  0.2558  0.4952  0.7232  1
  Ac  Ac1  1  0.7651  0.5111  0.2482  1
  Cu  Cu2  1  0.4718  0.9203  0.4601  1
  Os  Os3  1  0.9928  0.9821  0.0105  1
  S  S4  1  0.1641  0.9300  0.6808  1
  S  S5  1  0.2367  0.4734  0.1609  1
  S  S6  1  0.3371  0.0896  0.2590  1
  S  S7  1  0.6751  0.9991  0.8160  1
  S  S8  1  0.7745  0.5302  0.8066  1
  S  S9  1  0.8230  0.0710  0.3358  1
]