data_[Mg1V3Sn1O8]
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
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0051]
_cell_length_b [6.6816]
_cell_length_c [6.8343]
_cell_angle_alpha [106.8894]
_cell_angle_beta [90.0420]
_cell_angle_gamma [107.2089]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV3SnO8]
_chemical_formula_sum '[Mg1 V3 Sn1 O8]'
_cell_volume [166.4120]
_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  0.8438  0.6312  0.9900  1
  V  V1  1  0.3175  0.5896  0.6922  1
  V  V2  1  0.4175  0.7860  0.3301  1
  V  V3  1  0.5507  0.1905  0.6926  1
  Sn  Sn4  1  0.7110  0.3725  0.2931  1
  O  O5  1  0.1536  0.2545  0.6892  1
  O  O6  1  0.2567  0.4652  0.3678  1
  O  O7  1  0.3781  0.7017  0.9957  1
  O  O8  1  0.4462  0.8802  0.6370  1
  O  O9  1  0.5735  0.1058  0.3855  1
  O  O10  1  0.6812  0.3057  0.9882  1
  O  O11  1  0.7820  0.5188  0.6734  1
  O  O12  1  0.8782  0.7083  0.2951  1
]