data_SrTa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.35
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   101.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Mo
_chemical_formula_sum   'Sr1 Ta2 Mo1'
_cell_volume   93.39
_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  Sr1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.75  0.17  0.35  1.0
  Ta  Ta3  1  0.85  0.17  0.74  1.0
  Mo  Mo0  1  0.8  0.0  0.54  1.0

data_SrTa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.35
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   101.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTa2Mo
_chemical_formula_sum   'Sr1 Ta2 Mo1'
_cell_volume   93.39
_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  0.75  0.17  0.35  1.0
  Ta  Ta2  1  0.85  0.17  0.74  1.0
  Mo  Mo3  1  0.8  0.0  0.54  1.0

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