data_[Mg1V4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.5387]
_cell_length_b [11.5759]
_cell_length_c [4.9592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MgV4O10]
_chemical_formula_sum '[Mg1 V4 O10]'
_cell_volume [203.1428]
_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
[
  Mg  Mg0  1  0.0000  0.5000  0.1895  1.0
  V  V1  2  0.0000  0.1484  0.4110  1.0
  V  V2  2  0.5000  0.3506  0.6054  1.0
  O  O3  2  0.0000  0.1387  0.0877  1.0
  O  O4  2  0.0000  0.3269  0.4515  1.0
  O  O5  2  0.5000  0.1799  0.5306  1.0
  O  O6  2  0.5000  0.3847  0.9349  1.0
  O  O7  1  0.0000  0.0000  0.5261  1.0
  O  O8  1  0.5000  0.5000  0.4180  1.0
]