data_ZrVRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   6.9
_cell_length_c   2.84
_cell_angle_alpha   82.75
_cell_angle_beta   73.94
_cell_angle_gamma   23.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrVRe
_chemical_formula_sum   'Zr1 V1 Re1'
_cell_volume   50.09
_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  Zr2  1  0.57  0.37  0.49  1.0
  V  V1  1  0.57  0.37  0.79  1.0
  Re  Re0  1  0.57  0.37  0.16  1.0

data_ZrVRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.15
_cell_length_b   13.44
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   123.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrVRe
_chemical_formula_sum   'Zr2 V2 Re2'
_cell_volume   100.19
_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  0.07  0.5  0.93  1.0
  V  V1  2  0.27  0.0  0.64  1.0
  Re  Re2  2  0.4  0.5  0.27  1.0

Zr V Re
Zr V Re 0 2 o o o 0 1 o o o 1 2 o o + 