data_[Mg1V2S2O10]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0827]
_cell_length_b [6.6308]
_cell_length_c [6.6309]
_cell_angle_alpha [89.5511]
_cell_angle_beta [86.8441]
_cell_angle_gamma [86.6087]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgV2(SO5)2]
_chemical_formula_sum '[Mg1 V2 S2 O10]'
_cell_volume [178.9207]
_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  0.0000  0.0000  1
  V  V1  2  0.3546  0.2535  0.2531  1
  S  S2  2  0.4984  0.7430  0.2548  1
  O  O3  2  0.1915  0.7866  0.7859  1
  O  O4  2  0.2738  0.9314  0.2515  1
  O  O5  2  0.2763  0.2452  0.9321  1
  O  O6  2  0.3021  0.5663  0.2431  1
  O  O7  2  0.3059  0.2589  0.5669  1
]