data_YTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   141.53
_cell_angle_beta   128.31
_cell_angle_gamma   66.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Bi
_chemical_formula_sum   'Y1 Ta2 Bi1'
_cell_volume   91.51
_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  Y3  1  0.0  0.0  0.7  1.0
  Ta  Ta1  1  0.0  0.0  0.22  1.0
  Ta  Ta2  1  0.89  0.0  0.21  1.0
  Bi  Bi0  1  0.0  0.51  0.51  1.0

data_YTa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.01
_cell_length_c   5.75
_cell_angle_alpha   115.85
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Bi
_chemical_formula_sum   'Y1 Ta2 Bi1'
_cell_volume   91.51
_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  0.3  0.3  0.3  1.0
  Ta  Ta1  1  0.69  0.79  0.69  1.0
  Ta  Ta2  1  0.78  0.78  0.78  1.0
  Bi  Bi3  1  0.49  0.0  0.0  1.0

Y Ta Ta Bi