data_SrTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   127.13
_cell_angle_beta   112.33
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcNi2
_chemical_formula_sum   'Sr1 Tc1 Ni2'
_cell_volume   75.12
_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
  Tc  Tc3  1  0.0  0.0  0.34  1.0
  Ni  Ni0  1  0.12  0.0  0.1  1.0
  Ni  Ni1  1  0.0  0.65  0.24  1.0

data_SrTcNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   67.67
_cell_angle_beta   63.56
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcNi2
_chemical_formula_sum   'Sr1 Tc1 Ni2'
_cell_volume   75.12
_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  0.0  0.34  1.0
  Ni  Ni2  1  0.0  0.88  0.1  1.0
  Ni  Ni3  1  0.65  0.0  0.59  1.0

Sr Tc Ni Ni
Sr Tc Ni Ni 0 2 o o o 0 1 o o o 1 3 o - o 1 2 o o o 