data_Y2TiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   135.94
_cell_angle_beta   131.86
_cell_angle_gamma   67.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiAs
_chemical_formula_sum   'Y2 Ti1 As1'
_cell_volume   93.14
_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
  Y  Y2  1  0.0  0.31  0.22  1.0
  Y  Y3  1  0.13  0.0  0.5  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.73  1.0

data_Y2TiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.63
_cell_length_c   5.68
_cell_angle_alpha   114.07
_cell_angle_beta   112.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TiAs
_chemical_formula_sum   'Y2 Ti1 As1'
_cell_volume   93.14
_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
  Y  Y0  1  0.0  0.5  0.37  1.0
  Y  Y1  1  0.69  0.91  0.91  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.73  0.73  1.0

Y Y Ti As
Y Y Ti As 0 2 o o o 1 3 o o o 2 3 o o - 