data_CaZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   144.2
_cell_angle_beta   143.08
_cell_angle_gamma   52.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnP
_chemical_formula_sum   'Ca1 Zn1 P1'
_cell_volume   60.83
_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  0.0  0.04  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.98  1.0

data_CaZnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.54
_cell_length_c   5.58
_cell_angle_alpha   108.46
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnP
_chemical_formula_sum   'Ca1 Zn1 P1'
_cell_volume   60.83
_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  0.96  0.96  0.96  1.0
  Zn  Zn1  1  1.0  1.0  1.0  1.0
  P  P2  1  0.02  0.02  0.02  1.0

Ca Zn P