data_MgV2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2In
_chemical_formula_sum   'Mg1 V2 In1'
_cell_volume   67.26
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.37  0.2  0.39  1.0
  V  V3  1  0.37  0.8  0.39  1.0
  In  In0  1  0.74  0.0  0.0  1.0

data_MgV2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   116.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2In
_chemical_formula_sum   'Mg1 V2 In1'
_cell_volume   67.26
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.39  0.37  0.8  1.0
  V  V2  1  0.39  0.37  0.2  1.0
  In  In3  1  0.0  0.74  0.0  1.0

Mg V V In