data_SrTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   147.15
_cell_angle_beta   123.84
_cell_angle_gamma   66.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTc2Mo
_chemical_formula_sum   'Sr1 Tc2 Mo1'
_cell_volume   76.24
_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
  Tc  Tc2  1  0.0  0.61  0.02  1.0
  Tc  Tc3  1  0.57  0.0  0.62  1.0
  Mo  Mo0  1  0.0  0.0  0.64  1.0

data_SrTc2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.23
_cell_length_c   5.55
_cell_angle_alpha   118.08
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTc2Mo
_chemical_formula_sum   'Sr1 Tc2 Mo1'
_cell_volume   76.24
_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
  Tc  Tc1  1  0.0  0.62  0.05  1.0
  Tc  Tc2  1  0.39  0.41  0.41  1.0
  Mo  Mo3  1  0.0  0.64  0.64  1.0

Sr Tc Tc Mo