data_AlTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   4.81
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcAs2
_chemical_formula_sum   'Al1 Tc1 As2'
_cell_volume   74.65
_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
  Al  Al0  1  0.9  0.0  0.11  1.0
  Tc  Tc3  1  0.69  0.41  0.94  1.0
  As  As1  1  0.76  0.41  0.38  1.0
  As  As2  1  0.97  0.0  0.75  1.0

data_AlTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.38
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTcAs2
_chemical_formula_sum   'Al1 Tc1 As2'
_cell_volume   74.65
_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
  Al  Al0  1  0.1  0.89  0.0  1.0
  Tc  Tc1  1  0.31  0.06  0.59  1.0
  As  As2  1  0.03  0.25  0.0  1.0
  As  As3  1  0.24  0.62  0.59  1.0

Al Tc As As