data_Na2LaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   6.82
_cell_angle_alpha   94.76
_cell_angle_beta   94.76
_cell_angle_gamma   32.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaRe
_chemical_formula_sum   'Na2 La1 Re1'
_cell_volume   101.72
_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
  Na  Na1  1  0.03  0.0  0.13  1.0
  Na  Na2  1  0.57  0.0  0.66  1.0
  La  La0  1  0.01  0.0  0.63  1.0
  Re  Re3  1  0.7  0.0  0.78  1.0

data_Na2LaRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.27
_cell_length_c   6.82
_cell_angle_alpha   94.76
_cell_angle_beta   90.0
_cell_angle_gamma   106.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaRe
_chemical_formula_sum   'Na2 La1 Re1'
_cell_volume   101.72
_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
  Na  Na0  1  0.0  0.43  0.34  1.0
  Na  Na1  1  0.0  0.97  0.87  1.0
  La  La2  1  0.0  0.99  0.37  1.0
  Re  Re3  1  0.0  0.3  0.22  1.0

Na Na La Re