data_[Mn1V1Ni1H1O1]
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
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.7992]
_cell_length_b [3.1800]
_cell_length_c [6.4326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MnVNiHO]
_chemical_formula_sum '[Mn1 V1 Ni1 H1 O1]'
_cell_volume [57.2591]
_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
[
  Mn  Mn0  1  0.0000  0.5000  0.5100  1
  V  V1  1  0.0000  0.5000  0.9959  1
  Ni  Ni2  1  0.5000  0.0000  0.2470  1
  H  H3  1  0.5000  0.0000  0.4942  1
  O  O4  1  0.5000  0.5000  0.7806  1
]