data_SrTc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   21.52
_cell_angle_beta   21.52
_cell_angle_gamma   21.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTc2As
_chemical_formula_sum   'Sr1 Tc2 As1'
_cell_volume   77.69
_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  0.75  1.0
  Tc  Tc2  1  0.0  0.0  0.65  1.0
  Tc  Tc3  1  0.0  0.0  0.84  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_SrTc2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   3.25
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTc2As
_chemical_formula_sum   'Sr2 Tc4 As2'
_cell_volume   155.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Tc  Tc1  2  0.0  0.0  0.16  1.0
  Tc  Tc2  2  0.0  0.0  0.35  1.0
  As  As3  2  0.0  0.0  0.0  1.0

Sr Tc Tc As
Sr Tc Tc As 0 1 o o o 0 2 o o o 2 3 o o + 