data_[Ba1Ho1Mn2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6510]
_cell_length_b [5.6510]
_cell_length_c [7.6779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaHoMn2O8]
_chemical_formula_sum '[Ba1 Ho1 Mn2 O8]'
_cell_volume [212.3374]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Ho  Ho1  1  0.0000  0.0000  0.5000  1
  Mn  Mn2  2  0.3333  0.6667  0.7656  1
  O  O3  6  0.1687  0.3374  0.6952  1
  O  O4  2  0.3333  0.6667  0.9812  1
]