data_[Sr2V2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4624]
_cell_length_b [3.7957]
_cell_length_c [6.2959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrVO4]
_chemical_formula_sum '[Sr2 V2 O8]'
_cell_volume [146.4623]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  2  0.0000  0.5000  0.5000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.1021  0.0000  0.2994  1
  O  O3  4  0.1419  0.5000  0.9712  1
]