data_NaZrTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   146.21
_cell_angle_beta   128.86
_cell_angle_gamma   62.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrTc2
_chemical_formula_sum   'Na1 Zr1 Tc2'
_cell_volume   73.0
_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
  Na  Na0  1  0.0  0.0  0.51  1.0
  Zr  Zr3  1  0.0  0.39  0.6  1.0
  Tc  Tc1  1  0.0  0.39  0.26  1.0
  Tc  Tc2  1  0.0  0.0  0.84  1.0

data_NaZrTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.79
_cell_length_c   5.54
_cell_angle_alpha   115.57
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrTc2
_chemical_formula_sum   'Na1 Zr1 Tc2'
_cell_volume   73.0
_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
  Na  Na0  1  0.49  0.49  0.49  1.0
  Zr  Zr1  1  0.4  0.8  0.8  1.0
  Tc  Tc2  1  0.16  0.16  0.16  1.0
  Tc  Tc3  1  0.74  0.14  0.14  1.0

Na Zr Tc Tc
Na Zr Tc Tc 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o - 