data_La2MnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   5.05
_cell_angle_alpha   113.65
_cell_angle_beta   113.65
_cell_angle_gamma   32.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnMo
_chemical_formula_sum   'La2 Mn1 Mo1'
_cell_volume   96.71
_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  0.14  0.0  0.05  1.0
  La  La1  1  0.19  0.0  0.37  1.0
  Mn  Mn2  1  0.47  0.0  0.98  1.0
  Mo  Mo3  1  0.12  0.0  0.47  1.0

data_La2MnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.05
_cell_length_c   6.27
_cell_angle_alpha   113.65
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnMo
_chemical_formula_sum   'La2 Mn1 Mo1'
_cell_volume   96.71
_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  0.05  0.14  1.0
  La  La1  1  0.0  0.37  0.19  1.0
  Mn  Mn2  1  0.0  0.98  0.47  1.0
  Mo  Mo3  1  0.0  0.47  0.12  1.0

La La Mn Mo
La La Mn Mo 0 1 o o o 0 2 o o - 1 3 o o o 2 3 o o o 