data_[Ac1Mn1Re2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mn  1.5500  1.4000  0.6483
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1491]
_cell_length_b [6.1491]
_cell_length_c [6.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [AcMn(ReO4)2]
_chemical_formula_sum '[Ac1 Mn1 Re2 O8]'
_cell_volume [200.3091]
_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  0.0000  0.0000  0.5000  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Re  Re2  2  0.3333  0.6667  0.8802  1
  O  O3  6  0.1689  0.3378  0.7883  1
  O  O4  2  0.3333  0.6667  0.1675  1
]