data_ZrCu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.37
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   95.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Cl
_chemical_formula_sum   'Zr1 Cu2 Cl1'
_cell_volume   70.1
_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  0.56  0.68  0.1  1.0
  Cu  Cu1  1  0.62  0.68  0.44  1.0
  Cu  Cu2  1  0.14  0.0  0.52  1.0
  Cl  Cl0  1  0.39  0.0  0.06  1.0

data_ZrCu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.37
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   95.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Cl
_chemical_formula_sum   'Zr1 Cu2 Cl1'
_cell_volume   70.1
_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  0.56  0.68  0.1  1.0
  Cu  Cu1  1  0.14  0.0  0.52  1.0
  Cu  Cu2  1  0.62  0.68  0.44  1.0
  Cl  Cl3  1  0.39  0.0  0.06  1.0

Zr Cu Cu Cl