data_Ca2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   5.64
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiP
_chemical_formula_sum   'Ca2 Bi1 P1'
_cell_volume   106.06
_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  0.38  0.0  0.82  1.0
  Ca  Ca2  1  0.47  0.82  0.1  1.0
  Bi  Bi0  1  0.12  0.82  0.88  1.0
  P  P3  1  0.04  0.0  0.06  1.0

data_Ca2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.55
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiP
_chemical_formula_sum   'Ca2 Bi1 P1'
_cell_volume   106.06
_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  0.53  0.9  0.18  1.0
  Ca  Ca1  1  0.62  0.18  0.0  1.0
  Bi  Bi2  1  0.88  0.12  0.18  1.0
  P  P3  1  0.96  0.94  0.0  1.0

Ca Ca Bi P