data_[Ba2Ho2Mn2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8714]
_cell_length_b [6.5509]
_cell_length_c [8.9432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHoMnSe4]
_chemical_formula_sum '[Ba2 Ho2 Mn2 Se8]'
_cell_volume [383.1572]
_cell_formula_units_Z [2]
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  2  0.2497  0.7500  0.0587  1.0
  Ho  Ho1  2  0.2445  0.7500  0.5574  1.0
  Mn  Mn2  2  0.2354  0.2500  0.3261  1.0
  Se  Se3  4  0.0181  0.0102  0.7163  1.0
  Se  Se4  2  0.4255  0.2500  0.1398  1.0
  Se  Se5  2  0.4388  0.2500  0.5933  1.0
]