data_[V1Re2Si1]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0500]
_cell_length_b [3.0500]
_cell_length_c [5.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [VRe2Si]
_chemical_formula_sum '[V1 Re2 Si1]'
_cell_volume [55.0278]
_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  1  0.5000  0.5000  0.5000  1.0
  Re  Re1  2  0.0000  0.0000  0.2446  1.0
  Si  Si2  1  0.5000  0.5000  0.0000  1.0
]