data_Zn2CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   25.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrP
_chemical_formula_sum   'Zn2 Cr1 P1'
_cell_volume   57.03
_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
  Zn  Zn2  1  0.83  0.0  0.52  1.0
  Zn  Zn3  1  0.0  0.0  0.04  1.0
  Cr  Cr0  1  0.83  0.0  0.21  1.0
  P  P1  1  0.0  0.0  0.47  1.0

data_Zn2CrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.67
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrP
_chemical_formula_sum   'Zn2 Cr1 P1'
_cell_volume   57.03
_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
  Zn  Zn0  1  0.48  0.83  0.48  1.0
  Zn  Zn1  1  0.96  0.0  0.96  1.0
  Cr  Cr2  1  0.79  0.83  0.79  1.0
  P  P3  1  0.53  0.0  0.53  1.0

Zn Zn Cr P
Zn Zn Cr P 0 3 + o o 1 2 - o o 