data_ZnCo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   149.58
_cell_angle_beta   140.47
_cell_angle_gamma   50.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2Se
_chemical_formula_sum   'Zn1 Co2 Se1'
_cell_volume   54.87
_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  0.84  1.0
  Co  Co0  1  0.0  0.88  0.62  1.0
  Co  Co1  1  0.0  0.0  0.21  1.0
  Se  Se2  1  0.0  0.88  0.38  1.0

data_ZnCo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.75
_cell_length_c   5.55
_cell_angle_alpha   109.76
_cell_angle_beta   105.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2Se
_chemical_formula_sum   'Zn1 Co2 Se1'
_cell_volume   54.87
_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  0.84  0.84  1.0
  Co  Co1  1  0.0  0.21  0.21  1.0
  Co  Co2  1  0.12  0.74  0.74  1.0
  Se  Se3  1  0.12  0.51  0.51  1.0

Zn Co Co Se
Zn Co Co Se 0 1 o - o 1 3 o o o 2 3 o - o 