data_TiTc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   137.63
_cell_angle_beta   137.63
_cell_angle_gamma   61.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2As
_chemical_formula_sum   'Ti1 Tc2 As1'
_cell_volume   58.93
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.37  1.0
  Tc  Tc2  1  0.0  0.84  0.18  1.0
  As  As0  1  0.84  0.0  0.18  1.0

data_TiTc2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   5.08
_cell_angle_alpha   111.18
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTc2As
_chemical_formula_sum   'Ti1 Tc2 As1'
_cell_volume   58.93
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.63  0.0  0.63  1.0
  Tc  Tc2  1  0.65  0.84  0.65  1.0
  As  As3  1  0.82  0.0  0.65  1.0

Ti Tc Tc As