data_[Mn4V4H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0218]
_cell_length_b [2.7502]
_cell_length_c [4.4709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2V2H3]
_chemical_formula_sum '[Mn4 V4 H6]'
_cell_volume [108.2510]
_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
[
  Mn  Mn0  4  0.1283  0.0000  0.3803  1.0
  V  V1  4  0.1123  0.5000  0.8327  1.0
  H  H2  4  0.2449  0.5000  0.2495  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
]