data_[Sr1V1Se3]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6780]
_cell_length_b [4.6087]
_cell_length_c [18.1507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrVSe3]
_chemical_formula_sum '[Sr1 V1 Se3]'
_cell_volume [391.3172]
_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
[
  Sr  Sr0  1  0.7352  0.5000  0.5601  1
  V  V1  1  0.2060  0.0000  0.4728  1
  Se  Se2  1  0.2233  0.0000  0.6046  1
  Se  Se3  1  0.2842  0.5000  0.4310  1
  Se  Se4  1  0.7324  0.0000  0.4315  1
]