data_[V12Re1Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.9134]
_cell_length_b [4.9210]
_cell_length_c [9.8713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [V12ReSn3]
_chemical_formula_sum '[V12 Re1 Sn3]'
_cell_volume [238.6749]
_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
[
  V  V0  4  0.0000  0.2398  0.2606  1
  V  V1  2  0.2405  0.5000  0.5000  1
  V  V2  2  0.2561  0.5000  0.0000  1
  V  V3  2  0.5000  0.0000  0.1294  1
  V  V4  2  0.5000  0.0000  0.3836  1
  Re  Re5  1  0.0000  0.0000  0.5000  1
  Sn  Sn6  2  0.5000  0.5000  0.2509  1
  Sn  Sn7  1  0.0000  0.0000  0.0000  1
]