data_Co2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.95
_cell_angle_alpha   98.83
_cell_angle_beta   98.83
_cell_angle_gamma   37.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnMo
_chemical_formula_sum   'Co2 Sn1 Mo1'
_cell_volume   59.56
_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
  Co  Co0  1  0.17  0.0  0.03  1.0
  Co  Co1  1  0.5  0.0  0.86  1.0
  Sn  Sn3  1  0.84  0.0  0.44  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Co2SnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.48
_cell_length_c   4.95
_cell_angle_alpha   98.83
_cell_angle_beta   90.0
_cell_angle_gamma   108.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2SnMo
_chemical_formula_sum   'Co2 Sn1 Mo1'
_cell_volume   59.56
_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
  Co  Co0  1  0.0  0.5  0.14  1.0
  Co  Co1  1  0.0  0.83  0.97  1.0
  Sn  Sn2  1  0.0  0.16  0.56  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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