data_TcTe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   7.58
_cell_angle_alpha   96.13
_cell_angle_beta   96.13
_cell_angle_gamma   49.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcTe2As
_chemical_formula_sum   'Tc1 Te2 As1'
_cell_volume   90.23
_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  Tc1  1  0.17  0.0  0.76  1.0
  Te  Te2  1  0.96  0.0  0.35  1.0
  Te  Te3  1  0.39  0.0  0.17  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TcTe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.98
_cell_length_c   7.58
_cell_angle_alpha   96.13
_cell_angle_beta   90.0
_cell_angle_gamma   114.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcTe2As
_chemical_formula_sum   'Tc1 Te2 As1'
_cell_volume   90.23
_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  0.83  0.24  1.0
  Te  Te1  1  0.0  0.04  0.65  1.0
  Te  Te2  1  0.0  0.61  0.83  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tc Te Te As
Tc Te Te As 0 3 o o + 1 2 o o o 1 2 + o o 1 3 + o o 2 3 o o o 