data_ZrAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   7.3
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAs2Cl
_chemical_formula_sum   'Zr1 As2 Cl1'
_cell_volume   110.97
_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  0.82  0.0  0.2  1.0
  As  As0  1  0.61  0.0  0.51  1.0
  As  As1  1  0.01  0.0  0.98  1.0
  Cl  Cl2  1  0.53  0.0  0.07  1.0

data_ZrAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.22
_cell_length_c   7.3
_cell_angle_alpha   99.98
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAs2Cl
_chemical_formula_sum   'Zr1 As2 Cl1'
_cell_volume   110.97
_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  0.18  0.8  1.0
  As  As1  1  0.0  0.39  0.49  1.0
  As  As2  1  0.0  0.99  0.02  1.0
  Cl  Cl3  1  0.0  0.47  0.93  1.0

Zr As As Cl
Zr As As Cl 0 3 o o o 0 1 o o o 0 2 + o - 1 3 o o o 1 1 + - o 