data_ZrV2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.19
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Re
_chemical_formula_sum   'Zr1 V2 Re1'
_cell_volume   65.71
_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
  V  V1  1  0.47  0.09  0.8  1.0
  V  V2  1  0.47  0.09  0.55  1.0
  Re  Re0  1  0.0  0.0  0.67  1.0

data_ZrV2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.19
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Re
_chemical_formula_sum   'Zr1 V2 Re1'
_cell_volume   65.71
_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
  V  V1  1  0.47  0.09  0.55  1.0
  V  V2  1  0.47  0.09  0.8  1.0
  Re  Re3  1  0.0  0.0  0.67  1.0

Zr V V Re
Zr V V Re 0 1 - o - 0 1 o o - 0 3 o o - 1 3 o o o 1 3 + o o 1 2 o o o 2 3 o o o 2 3 + o o 