data_MgVIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.5
_cell_angle_alpha   101.44
_cell_angle_beta   101.44
_cell_angle_gamma   35.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVIn2
_chemical_formula_sum   'Mg1 V1 In2'
_cell_volume   81.65
_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  Mg2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.3  0.0  0.69  1.0
  In  In0  1  0.08  0.0  0.44  1.0
  In  In1  1  0.52  0.0  0.94  1.0

data_MgVIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.11
_cell_length_c   5.5
_cell_angle_alpha   101.44
_cell_angle_beta   90.0
_cell_angle_gamma   107.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVIn2
_chemical_formula_sum   'Mg1 V1 In2'
_cell_volume   81.65
_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  0.0  0.7  0.31  1.0
  In  In2  1  0.0  0.48  0.06  1.0
  In  In3  1  0.0  0.92  0.56  1.0

Mg V In In