data_Zr2TcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   132.8
_cell_angle_beta   124.72
_cell_angle_gamma   75.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcAs
_chemical_formula_sum   'Zr2 Tc1 As1'
_cell_volume   73.39
_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  Zr2  1  0.0  0.32  0.87  1.0
  Zr  Zr3  1  0.0  0.0  0.08  1.0
  Tc  Tc1  1  0.0  0.0  0.95  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Zr2TcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.64
_cell_length_c   5.0
_cell_angle_alpha   117.64
_cell_angle_beta   113.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcAs
_chemical_formula_sum   'Zr2 Tc1 As1'
_cell_volume   73.39
_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  0.13  0.45  0.45  1.0
  Zr  Zr1  1  0.92  0.92  0.92  1.0
  Tc  Tc2  1  0.05  0.05  0.05  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zr Zr Tc As