data_ZnP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   29.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Se
_chemical_formula_sum   'Zn1 P2 Se1'
_cell_volume   76.13
_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  Zn3  1  0.0  0.0  1.0  1.0
  P  P0  1  0.39  0.0  0.32  1.0
  P  P1  1  0.0  0.0  0.55  1.0
  Se  Se2  1  0.39  0.0  0.97  1.0

data_ZnP2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.77
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnP2Se
_chemical_formula_sum   'Zn1 P2 Se1'
_cell_volume   76.13
_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  0.0  0.0  0.0  1.0
  P  P1  1  0.45  0.0  0.45  1.0
  P  P2  1  0.68  0.39  0.68  1.0
  Se  Se3  1  0.03  0.39  0.03  1.0

Zn P P Se