data_SrTaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.83
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaMo2
_chemical_formula_sum   'Sr1 Ta1 Mo2'
_cell_volume   77.35
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.58  0.0  0.53  1.0
  Mo  Mo0  1  0.58  0.42  0.0  1.0
  Mo  Mo1  1  0.0  0.42  0.53  1.0

data_SrTaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.83
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaMo2
_chemical_formula_sum   'Sr1 Ta1 Mo2'
_cell_volume   77.35
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.58  0.0  0.53  1.0
  Mo  Mo2  1  0.0  0.42  0.53  1.0
  Mo  Mo3  1  0.58  0.42  -0.0  1.0

Sr Ta Mo Mo
Sr Ta Mo Mo 0 2 - - o 0 2 - o o 0 2 o o o 0 1 - o - 0 1 - o o 0 1 o o - 0 1 o o o 0 0 + o o 0 3 o o - 1 3 o o o 1 3 + - o 1 3 + o o 1 1 + o o 1 2 o o + 2 3 o o - 2 3 o o o 2 3 + o - 2 3 + o o 2 2 + o o 3 3 + o o 