data_CaAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   139.46
_cell_angle_beta   135.33
_cell_angle_gamma   61.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgBi2
_chemical_formula_sum   'Ca1 Ag1 Bi2'
_cell_volume   111.01
_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
  Ca  Ca3  1  0.0  0.0  0.4  1.0
  Ag  Ag0  1  0.0  0.38  0.81  1.0
  Bi  Bi1  1  0.0  0.0  0.67  1.0
  Bi  Bi2  1  0.17  0.0  0.61  1.0

data_CaAgBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.76
_cell_length_c   6.26
_cell_angle_alpha   112.33
_cell_angle_beta   110.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAgBi2
_chemical_formula_sum   'Ca1 Ag1 Bi2'
_cell_volume   111.01
_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
  Ca  Ca0  1  0.6  0.6  0.6  1.0
  Ag  Ag1  1  0.19  0.57  0.57  1.0
  Bi  Bi2  1  0.33  0.33  0.33  1.0
  Bi  Bi3  1  0.56  0.39  0.56  1.0

Ca Ag Bi Bi