data_ZrMn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   144.16
_cell_angle_beta   127.14
_cell_angle_gamma   65.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Tc
_chemical_formula_sum   'Zr1 Mn2 Tc1'
_cell_volume   58.28
_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
  Mn  Mn0  1  0.0  0.23  0.01  1.0
  Mn  Mn1  1  0.54  0.0  0.21  1.0
  Tc  Tc2  1  0.0  0.0  0.22  1.0

data_ZrMn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.47
_cell_length_c   5.02
_cell_angle_alpha   116.43
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Tc
_chemical_formula_sum   'Zr1 Mn2 Tc1'
_cell_volume   58.28
_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  Zr0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.21  0.67  1.0
  Mn  Mn2  1  0.77  0.77  0.77  1.0
  Tc  Tc3  1  0.0  0.22  0.22  1.0

Zr Mn Mn Tc