data_[Mn2V1Zn1O6]
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
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0706]
_cell_length_b [5.1262]
_cell_length_c [5.5541]
_cell_angle_alpha [116.3153]
_cell_angle_beta [91.3693]
_cell_angle_gamma [119.0664]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2VZnO6]
_chemical_formula_sum '[Mn2 V1 Zn1 O6]'
_cell_volume [107.7048]
_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  0.0134  0.0246  0.0292  1
  Mn  Mn1  1  0.5223  0.0509  0.5720  1
  V  V2  1  0.3220  0.6351  0.9606  1
  Zn  Zn3  1  0.8091  0.5856  0.3841  1
  O  O4  1  0.1305  0.8519  0.2368  1
  O  O5  1  0.1978  0.8166  0.7593  1
  O  O6  1  0.3896  0.5033  0.2391  1
  O  O7  1  0.6019  0.5613  0.7835  1
  O  O8  1  0.7316  0.1152  0.2376  1
  O  O9  1  0.9433  0.1787  0.7827  1
]