data_LaMgRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.47
_cell_angle_alpha   108.7
_cell_angle_beta   108.7
_cell_angle_gamma   43.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgRe2
_chemical_formula_sum   'La1 Mg1 Re2'
_cell_volume   93.78
_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  0.87  0.0  0.57  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.92  0.0  0.67  1.0
  Re  Re3  1  0.82  0.0  0.46  1.0

data_LaMgRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.17
_cell_length_c   5.47
_cell_angle_alpha   108.7
_cell_angle_beta   90.0
_cell_angle_gamma   111.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgRe2
_chemical_formula_sum   'La1 Mg1 Re2'
_cell_volume   93.78
_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  0.13  0.43  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.08  0.33  1.0
  Re  Re3  1  0.0  0.18  0.54  1.0

La Mg Re Re