data_ZrTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   135.2
_cell_angle_beta   124.94
_cell_angle_gamma   73.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Au
_chemical_formula_sum   'Zr1 Te2 Au1'
_cell_volume   94.19
_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  0.0  0.0  0.0  1.0
  Te  Te1  1  0.1  0.0  0.53  1.0
  Te  Te2  1  0.0  0.55  0.88  1.0
  Au  Au0  1  0.0  0.0  0.41  1.0

data_ZrTe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.09
_cell_length_c   5.51
_cell_angle_alpha   117.53
_cell_angle_beta   112.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTe2Au
_chemical_formula_sum   'Zr1 Te2 Au1'
_cell_volume   94.19
_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  0.0  0.0  1.0
  Te  Te1  1  0.12  0.67  0.67  1.0
  Te  Te2  1  0.57  0.47  0.57  1.0
  Au  Au3  1  0.59  0.59  0.59  1.0

Zr Te Te Au