data_[Ba3Mn3Mo6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.3676]
_cell_length_b [5.3676]
_cell_length_c [22.6691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaMn(MoO4)2]
_chemical_formula_sum '[Ba3 Mn3 Mo6 O24]'
_cell_volume [565.6110]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  -0.0000  0.0000  0.5000  1.0
  Mn  Mn1  3  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  6  0.0000  0.0000  0.2570  1.0
  O  O3  18  0.0054  0.3276  0.7227  1.0
  O  O4  6  0.0000  0.0000  0.1781  1.0
]