data_LaMgRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.14
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgRe2
_chemical_formula_sum   'La1 Mg1 Re2'
_cell_volume   85.05
_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  0.24  0.07  0.27  1.0
  Mg  Mg1  1  0.56  0.0  0.63  1.0
  Re  Re2  1  0.06  0.07  0.29  1.0
  Re  Re3  1  0.0  0.0  0.26  1.0

data_LaMgRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.14
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgRe2
_chemical_formula_sum   'La1 Mg1 Re2'
_cell_volume   85.05
_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  0.24  0.07  0.27  1.0
  Mg  Mg1  1  0.56  0.0  0.63  1.0
  Re  Re2  1  0.0  0.0  0.26  1.0
  Re  Re3  1  0.06  0.07  0.29  1.0

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