data_[Mn1V3O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6910]
_cell_length_b [5.7025]
_cell_length_c [7.5795]
_cell_angle_alpha [90.2722]
_cell_angle_beta [90.3174]
_cell_angle_gamma [90.5949]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnV3O8]
_chemical_formula_sum '[Mn1 V3 O8]'
_cell_volume [245.9568]
_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  0.0692  0.5112  0.8767  1.0
  V  V1  1  0.4382  0.9945  0.3760  1.0
  V  V2  1  0.5659  0.4946  0.6195  1.0
  V  V3  1  0.9360  0.0138  0.1291  1.0
  O  O4  1  0.0074  0.8485  0.9510  1.0
  O  O5  1  0.1352  0.9516  0.3080  1.0
  O  O6  1  0.4059  0.4500  0.8054  1.0
  O  O7  1  0.4699  0.2961  0.4476  1.0
  O  O8  1  0.5173  0.7908  0.5470  1.0
  O  O9  1  0.6395  0.9418  0.1974  1.0
  O  O10  1  0.8542  0.4540  0.6641  1.0
  O  O11  1  0.9614  0.3015  0.0782  1.0
]