data_Sr2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   126.94
_cell_angle_beta   124.66
_cell_angle_gamma   80.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcNi
_chemical_formula_sum   'Sr2 Tc1 Ni1'
_cell_volume   100.44
_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  0.51  0.1  1.0
  Sr  Sr2  1  0.42  0.0  0.03  1.0
  Tc  Tc3  1  0.0  0.0  0.14  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Sr2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   5.02
_cell_length_c   5.41
_cell_angle_alpha   117.67
_cell_angle_beta   116.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TcNi
_chemical_formula_sum   'Sr2 Tc1 Ni1'
_cell_volume   100.44
_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  0.03  0.62  1.0
  Sr  Sr1  1  0.49  0.59  0.59  1.0
  Tc  Tc2  1  0.0  0.14  0.14  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Sr Sr Tc Ni