data_TiTcAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcAs
_chemical_formula_sum   'Ti1 Tc1 As1'
_cell_volume   47.0
_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  Ti2  1  0.0  0.0  0.85  1.0
  Tc  Tc1  1  0.13  0.23  0.59  1.0
  As  As0  1  1.0  0.46  0.55  1.0

data_TiTcAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.26
_cell_length_c   4.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcAs
_chemical_formula_sum   'Ti1 Tc1 As1'
_cell_volume   47.0
_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  0.85  0.0  0.0  1.0
  Tc  Tc1  1  0.59  0.13  0.23  1.0
  As  As2  1  0.55  1.0  0.46  1.0

Ti Tc As
Ti Tc As 0 1 o o o 1 2 - o o 