data_CuTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.12
_cell_angle_alpha   92.67
_cell_angle_beta   92.67
_cell_angle_gamma   93.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcAs2
_chemical_formula_sum   'Cu1 Tc1 As2'
_cell_volume   59.73
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.01  0.0  0.0  1.0
  As  As0  1  0.4  0.41  0.56  1.0
  As  As1  1  0.4  0.59  0.56  1.0

data_CuTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   93.3
_cell_angle_beta   92.67
_cell_angle_gamma   92.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcAs2
_chemical_formula_sum   'Cu1 Tc1 As2'
_cell_volume   59.73
_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
  Tc  Tc0  1  -0.0  0.01  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.56  0.4  0.41  1.0
  As  As3  1  0.56  0.4  0.59  1.0

Cu Tc As As