data_ZrTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   3.13
_cell_angle_alpha   104.07
_cell_angle_beta   104.07
_cell_angle_gamma   119.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Bi
_chemical_formula_sum   'Zr1 Ta2 Bi1'
_cell_volume   84.28
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.75  0.45  0.37  1.0
  Ta  Ta2  1  0.75  0.55  0.37  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_ZrTa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.28
_cell_length_c   5.92
_cell_angle_alpha   115.68
_cell_angle_beta   104.07
_cell_angle_gamma   92.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Bi
_chemical_formula_sum   'Zr1 Ta2 Bi1'
_cell_volume   84.28
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.82  0.45  0.2  1.0
  Ta  Ta2  1  0.93  0.55  0.3  1.0
  Bi  Bi3  1  0.0  0.0  0.0  1.0
