data_[Ti2Re2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5238]
_cell_length_b [3.7812]
_cell_length_c [7.7946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiReSi2]
_chemical_formula_sum '[Ti2 Re2 Si4]'
_cell_volume [133.2762]
_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
[
  Ti  Ti0  2  0.3401  0.7500  0.7748  1
  Si  Si1  2  0.1197  0.7500  0.0770  1
  Re  Re2  2  0.1325  0.7500  0.3783  1
  Si  Si3  2  0.3530  0.2500  0.5250  1
]