data_CaBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   130.61
_cell_angle_beta   130.61
_cell_angle_gamma   72.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2P
_chemical_formula_sum   'Ca1 Bi2 P1'
_cell_volume   109.6
_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  0.0  0.42  0.34  1.0
  Bi  Bi0  1  0.42  0.0  0.34  1.0
  Bi  Bi1  1  0.0  0.0  0.68  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CaBi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.79
_cell_angle_alpha   114.7
_cell_angle_beta   114.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBi2P
_chemical_formula_sum   'Ca1 Bi2 P1'
_cell_volume   109.6
_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  0.92  0.34  0.92  1.0
  Bi  Bi1  1  0.34  0.92  0.92  1.0
  Bi  Bi2  1  0.68  0.68  0.68  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ca Bi Bi P