data_CeZnCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeZnCuP2
_chemical_formula_sum   'Ce1 Zn1 Cu1 P2'
_cell_volume   92.38
_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
  Ce  Ce0  1  0.0  0.16  0.59  1.0
  Zn  Zn1  1  1.0  0.31  0.48  1.0
  Cu  Cu2  1  0.0  0.0  0.25  1.0
  P  P3  1  0.0  0.0  0.74  1.0
  P  P4  1  1.0  0.31  0.9  1.0

data_CeZnCuP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.0
_cell_length_b   6.94
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CeZnCuP2
_chemical_formula_sum   'Ce2 Zn2 Cu2 P4'
_cell_volume   184.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ce  Ce0  2  0.15  0.0  0.59  1.0
  Zn  Zn1  2  0.31  0.0  0.48  1.0
  Cu  Cu2  2  0.5  0.5  0.25  1.0
  P  P3  2  0.31  0.0  0.9  1.0
  P  P4  2  0.5  0.5  0.74  1.0

Ce Zn Cu P P