data_Zr2VIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   133.07
_cell_angle_beta   133.07
_cell_angle_gamma   68.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VIn
_chemical_formula_sum   'Zr2 V1 In1'
_cell_volume   81.66
_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  0.14  0.0  0.22  1.0
  Zr  Zr3  1  0.0  0.0  0.45  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.14  0.22  1.0

data_Zr2VIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   5.38
_cell_angle_alpha   113.47
_cell_angle_beta   113.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VIn
_chemical_formula_sum   'Zr2 V1 In1'
_cell_volume   81.66
_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  0.22  0.08  0.08  1.0
  Zr  Zr1  1  0.45  0.45  0.45  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.08  0.22  0.08  1.0

Zr Zr V In