data_CaZn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   138.47
_cell_angle_beta   135.93
_cell_angle_gamma   62.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Bi
_chemical_formula_sum   'Ca1 Zn2 Bi1'
_cell_volume   98.44
_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  Ca1  1  0.0  0.0  0.42  1.0
  Zn  Zn2  1  0.0  0.25  0.71  1.0
  Zn  Zn3  1  0.0  0.0  0.25  1.0
  Bi  Bi0  1  0.0  0.25  0.03  1.0

data_CaZn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.5
_cell_length_c   6.0
_cell_angle_alpha   112.04
_cell_angle_beta   110.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Bi
_chemical_formula_sum   'Ca1 Zn2 Bi1'
_cell_volume   98.44
_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  0.58  0.58  0.58  1.0
  Zn  Zn1  1  0.29  0.54  0.54  1.0
  Zn  Zn2  1  0.75  0.75  0.75  1.0
  Bi  Bi3  1  0.97  0.22  0.22  1.0

Ca Zn Zn Bi
Ca Zn Zn Bi 0 1 o o o 0 2 o o o 1 3 o o + 