data_Mn2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   140.84
_cell_angle_beta   131.06
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SnMo
_chemical_formula_sum   'Mn2 Sn1 Mo1'
_cell_volume   58.99
_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
  Mn  Mn0  1  0.0  0.0  0.29  1.0
  Mn  Mn1  1  0.0  0.07  0.09  1.0
  Sn  Sn3  1  0.68  0.0  0.17  1.0
  Mo  Mo2  1  0.0  0.0  0.41  1.0

data_Mn2SnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.15
_cell_length_c   5.01
_cell_angle_alpha   114.47
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SnMo
_chemical_formula_sum   'Mn2 Sn1 Mo1'
_cell_volume   58.99
_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
  Mn  Mn0  1  0.0  0.29  0.29  1.0
  Mn  Mn1  1  0.93  0.01  0.01  1.0
  Sn  Sn2  1  0.0  0.17  0.49  1.0
  Mo  Mo3  1  0.0  0.41  0.41  1.0

Mn Mn Sn Mo
Mn Mn Sn Mo 0 3 o o o 0 1 o o o 0 2 - o o 2 3 + o o 