data_Ca2AgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   4.1
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AgBi
_chemical_formula_sum   'Ca2 Ag1 Bi1'
_cell_volume   113.38
_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  Ca2  1  0.73  0.05  0.8  1.0
  Ca  Ca3  1  0.78  0.05  0.83  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.94  0.0  0.81  1.0

data_Ca2AgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.1
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AgBi
_chemical_formula_sum   'Ca2 Ag1 Bi1'
_cell_volume   113.38
_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  0.73  0.05  0.8  1.0
  Ca  Ca1  1  0.78  0.05  0.83  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.94  0.0  0.81  1.0

Ca Ca Ag Bi
Ca Ca Ag Bi 0 1 o o o 1 2 + o + 1 3 o o o 2 3 - o - 