data_ZrCrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   145.1
_cell_angle_beta   126.95
_cell_angle_gamma   65.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrTc2
_chemical_formula_sum   'Zr1 Cr1 Tc2'
_cell_volume   62.26
_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  0.36  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.31  0.31  1.0
  Tc  Tc2  1  0.55  0.0  0.05  1.0

data_ZrCrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.61
_cell_length_c   5.17
_cell_angle_alpha   116.52
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrTc2
_chemical_formula_sum   'Zr1 Cr1 Tc2'
_cell_volume   62.26
_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  0.36  0.36  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.05  0.5  1.0
  Tc  Tc3  1  0.69  0.0  0.0  1.0

Zr Cr Tc Tc