data_La2ZrMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrMn
_chemical_formula_sum   'La2 Zr1 Mn1'
_cell_volume   100.39
_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  0.65  0.07  0.97  1.0
  La  La1  1  0.65  0.93  0.97  1.0
  Zr  Zr3  1  0.3  0.0  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0

data_La2ZrMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   98.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZrMn
_chemical_formula_sum   'La2 Zr1 Mn1'
_cell_volume   100.39
_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  0.97  0.65  0.93  1.0
  La  La1  1  0.97  0.65  0.07  1.0
  Zr  Zr2  1  0.0  0.3  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

La La Zr Mn