data_Ti2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TeAs
_chemical_formula_sum   'Ti2 Te1 As1'
_cell_volume   72.42
_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  0.31  0.0  0.16  1.0
  Ti  Ti3  1  0.31  0.0  0.51  1.0
  Te  Te1  1  0.0  0.0  0.34  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Ti2TeAs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2TeAs
_chemical_formula_sum   'Ti2 Te1 As1'
_cell_volume   72.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.31  0.0  0.16  1.0
  Ti  Ti1  1  0.31  0.0  0.51  1.0
  Te  Te2  1  0.0  0.0  0.34  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ti Ti Te As
Ti Ti Te As 0 3 o o o 0 2 o o o 1 2 o o o 