data_LaSc2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Re
_chemical_formula_sum   'La1 Sc2 Re1'
_cell_volume   86.48
_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  0.0  0.0  1.0
  Sc  Sc2  1  0.53  0.02  0.78  1.0
  Sc  Sc3  1  0.53  0.98  0.78  1.0
  Re  Re1  1  0.06  0.0  0.0  1.0

data_LaSc2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   104.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Re
_chemical_formula_sum   'La1 Sc2 Re1'
_cell_volume   86.48
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.78  0.53  0.02  1.0
  Sc  Sc2  1  0.78  0.53  0.98  1.0
  Re  Re3  1  -0.0  0.06  0.0  1.0

La Sc Sc Re