data_Zr2VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   4.77
_cell_angle_alpha   111.44
_cell_angle_beta   111.44
_cell_angle_gamma   38.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VSb
_chemical_formula_sum   'Zr2 V1 Sb1'
_cell_volume   80.28
_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  0.01  0.0  0.03  1.0
  Zr  Zr3  1  0.19  0.0  0.02  1.0
  V  V1  1  0.21  0.0  0.16  1.0
  Sb  Sb0  1  0.27  0.0  0.39  1.0

data_Zr2VSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.77
_cell_length_c   5.4
_cell_angle_alpha   111.44
_cell_angle_beta   109.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VSb
_chemical_formula_sum   'Zr2 V1 Sb1'
_cell_volume   80.28
_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  0.02  0.19  1.0
  Zr  Zr1  1  0.0  0.03  0.01  1.0
  V  V2  1  0.0  0.16  0.21  1.0
  Sb  Sb3  1  0.0  0.39  0.27  1.0

Zr Zr V Sb
Zr Zr V Sb 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o o o 