data_ZrTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   133.56
_cell_angle_beta   133.56
_cell_angle_gamma   67.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcAs2
_chemical_formula_sum   'Zr1 Tc1 As2'
_cell_volume   69.03
_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  0.24  1.0
  Tc  Tc2  1  0.02  0.0  0.12  1.0
  As  As0  1  0.0  0.02  0.12  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_ZrTcAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   123.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTcAs2
_chemical_formula_sum   'Zr2 Tc2 As4'
_cell_volume   138.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.26  0.5  0.76  1.0
  Tc  Tc1  2  0.39  0.5  0.89  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  As  As3  2  0.39  0.5  0.89  1.0

Zr Tc As As