data_LaMn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   131.7
_cell_angle_beta   131.7
_cell_angle_gamma   70.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Re
_chemical_formula_sum   'La1 Mn2 Re1'
_cell_volume   72.64
_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  0.16  1.0
  Mn  Mn1  1  0.0  0.09  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.09  0.0  0.08  1.0

data_LaMn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.1
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Re
_chemical_formula_sum   'La1 Mn2 Re1'
_cell_volume   72.64
_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  0.84  0.0  0.84  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.01  0.09  0.01  1.0
  Re  Re3  1  0.92  0.0  0.01  1.0

La Mn Mn Re
La Mn Mn Re 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 