data_TaSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.0
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnMo2
_chemical_formula_sum   'Ta1 Sn1 Mo2'
_cell_volume   71.97
_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
  Ta  Ta3  1  0.56  0.0  0.48  1.0
  Sn  Sn2  1  0.0  0.0  0.85  1.0
  Mo  Mo0  1  0.0  0.0  0.01  1.0
  Mo  Mo1  1  0.56  0.0  0.3  1.0

data_TaSnMo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.12
_cell_length_b   4.0
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaSnMo2
_chemical_formula_sum   'Ta1 Sn1 Mo2'
_cell_volume   71.97
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ta  Ta0  1  0.56  0.0  0.48  1.0
  Sn  Sn1  1  0.0  0.0  0.85  1.0
  Mo  Mo2  1  0.0  0.0  0.01  1.0
  Mo  Mo3  1  0.56  0.0  0.3  1.0

Ta Sn Mo Mo
Ta Sn Mo Mo 0 3 o o o 1 2 o o + 