data_Cu2ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReSi
_chemical_formula_sum   'Cu2 Re1 Si1'
_cell_volume   52.86
_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
  Cu  Cu0  1  0.25  0.02  0.31  1.0
  Cu  Cu1  1  0.25  0.98  0.31  1.0
  Re  Re2  1  0.51  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

data_Cu2ReSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   116.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReSi
_chemical_formula_sum   'Cu2 Re1 Si1'
_cell_volume   52.86
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.51  0.0  1.0
  Cu  Cu2  1  0.31  0.25  0.02  1.0
  Cu  Cu3  1  0.31  0.25  0.98  1.0

Cu Cu Re Si