data_LaMn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.79
_cell_angle_alpha   104.22
_cell_angle_beta   104.22
_cell_angle_gamma   39.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Re
_chemical_formula_sum   'La1 Mn2 Re1'
_cell_volume   72.4
_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  0.01  0.0  0.35  1.0
  Mn  Mn1  1  0.85  0.0  0.99  1.0
  Mn  Mn2  1  0.06  0.0  0.22  1.0
  Re  Re3  1  0.64  0.0  0.42  1.0

data_LaMn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.53
_cell_length_c   5.79
_cell_angle_alpha   104.22
_cell_angle_beta   90.0
_cell_angle_gamma   109.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Re
_chemical_formula_sum   'La1 Mn2 Re1'
_cell_volume   72.4
_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  0.99  0.65  1.0
  Mn  Mn1  1  0.0  0.15  0.01  1.0
  Mn  Mn2  1  0.0  0.94  0.78  1.0
  Re  Re3  1  0.0  0.36  0.58  1.0

La Mn Mn Re