data_Ca2ZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   7.11
_cell_angle_alpha   101.12
_cell_angle_beta   101.12
_cell_angle_gamma   45.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnBi
_chemical_formula_sum   'Ca2 Zn1 Bi1'
_cell_volume   124.4
_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  0.18  0.0  0.26  1.0
  Ca  Ca2  1  0.57  0.0  0.69  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.88  0.0  0.48  1.0

data_Ca2ZnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.01
_cell_length_c   7.11
_cell_angle_alpha   101.12
_cell_angle_beta   90.0
_cell_angle_gamma   112.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZnBi
_chemical_formula_sum   'Ca2 Zn1 Bi1'
_cell_volume   124.4
_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  0.0  0.43  0.31  1.0
  Ca  Ca1  1  0.0  0.82  0.74  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.12  0.52  1.0

Ca Ca Zn Bi