data_[Sr4Ti2V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.1149]
_cell_length_b [9.1149]
_cell_length_c [3.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sr2TiV2]
_chemical_formula_sum '[Sr4 Ti2 V4]'
_cell_volume [286.6555]
_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  4  0.2114  0.7114  0.5000  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  V  V2  4  0.0714  0.4286  0.0000  1
]