data_La4Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   94.02
_cell_angle_beta   94.02
_cell_angle_gamma   149.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Re
_chemical_formula_sum   'La4 Re1'
_cell_volume   160.32
_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  0.32  0.36  0.82  1.0
  La  La1  1  0.36  0.68  0.82  1.0
  La  La2  1  0.33  0.01  0.0  1.0
  La  La3  1  0.37  0.33  0.0  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0

data_La4Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   85.98
_cell_angle_beta   74.64
_cell_angle_gamma   74.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Re
_chemical_formula_sum   'La4 Re1'
_cell_volume   160.32
_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  0.01  0.32  0.0  1.0
  La  La1  1  0.33  0.04  0.0  1.0
  La  La2  1  0.36  0.96  0.18  1.0
  La  La3  1  0.68  0.68  0.18  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0

La La La La Re
La La La La Re 0 3 o o + 0 1 o o o 2 4 o o o 2 3 o o o 3 4 o o o 