data_ZrSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.33
_cell_angle_alpha   103.27
_cell_angle_beta   103.27
_cell_angle_gamma   41.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSe2Cl
_chemical_formula_sum   'Zr1 Se2 Cl1'
_cell_volume   88.5
_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
  Zr  Zr3  1  0.12  0.0  0.58  1.0
  Se  Se1  1  0.13  0.0  0.58  1.0
  Se  Se2  1  0.1  0.0  0.59  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZrSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.1
_cell_length_c   5.33
_cell_angle_alpha   103.27
_cell_angle_beta   90.0
_cell_angle_gamma   110.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSe2Cl
_chemical_formula_sum   'Zr1 Se2 Cl1'
_cell_volume   88.5
_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
  Zr  Zr0  1  0.0  0.88  0.42  1.0
  Se  Se1  1  0.0  0.87  0.42  1.0
  Se  Se2  1  0.0  0.9  0.41  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Se Se Cl