data_ZrVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   132.34
_cell_angle_beta   132.34
_cell_angle_gamma   69.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVAu2
_chemical_formula_sum   'Zr1 V1 Au2'
_cell_volume   71.09
_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  0.19  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.06  0.09  1.0
  Au  Au1  1  0.06  0.0  0.09  1.0

data_ZrVAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   124.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrVAu2
_chemical_formula_sum   'Zr2 V2 Au4'
_cell_volume   142.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.31  0.5  0.81  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Au  Au2  4  0.44  0.47  0.97  1.0

Zr V Au Au