data_[Ba4Mn2V4H2O18]
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
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9810]
_cell_length_b [6.3488]
_cell_length_c [9.1490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2MnV2HO9]
_chemical_formula_sum '[Ba4 Mn2 V4 H2 O18]'
_cell_volume [430.5231]
_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  0.2669  0.7500  0.7591  1
  Ba  Ba1  2  0.3240  0.2500  0.4101  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  V  V3  2  0.0487  0.7500  0.3313  1
  V  V4  2  0.4485  0.7500  0.1737  1
  H  H5  2  0.2585  0.2500  0.0113  1
  O  O6  4  0.0049  0.5126  0.2153  1
  O  O7  4  0.4932  0.0313  0.7040  1
  O  O8  2  0.0729  0.2500  0.5509  1
  O  O9  2  0.1633  0.2500  0.0603  1
  O  O10  2  0.2132  0.7500  0.0512  1
  O  O11  2  0.2691  0.7500  0.4532  1
  O  O12  2  0.4317  0.2500  0.9494  1
]