data_ZrFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2Tc
_chemical_formula_sum   'Zr1 Fe2 Tc1'
_cell_volume   58.1
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.5  0.48  0.59  1.0
  Fe  Fe1  1  0.5  0.52  0.59  1.0
  Tc  Tc2  1  0.01  0.0  0.0  1.0

data_ZrFe2Tc
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   ZrFe2Tc
_chemical_formula_sum   'Zr1 Fe2 Tc1'
_cell_volume   58.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.5  0.48  0.59  1.0
  Tc  Tc2  1  0.0  0.0  -0.0  1.0

Zr Fe Fe Tc