data_LaFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   4.79
_cell_angle_alpha   104.67
_cell_angle_beta   104.67
_cell_angle_gamma   30.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeRe2
_chemical_formula_sum   'La1 Fe1 Re2'
_cell_volume   68.06
_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
  La  La1  1  0.56  0.0  0.31  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.14  0.0  0.93  1.0
  Re  Re3  1  0.97  0.0  0.69  1.0

data_LaFeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.79
_cell_length_c   5.38
_cell_angle_alpha   104.67
_cell_angle_beta   105.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFeRe2
_chemical_formula_sum   'La1 Fe1 Re2'
_cell_volume   68.06
_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
  La  La0  1  0.0  0.31  0.56  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.69  0.97  1.0
  Re  Re3  1  0.0  0.93  0.14  1.0

La Fe Re Re