data_MgV2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   2.66
_cell_angle_alpha   93.24
_cell_angle_beta   93.24
_cell_angle_gamma   116.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Ga
_chemical_formula_sum   'Mg1 V2 Ga1'
_cell_volume   60.26
_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  0.18  0.85  0.32  1.0
  V  V3  1  0.18  0.15  0.32  1.0
  Ga  Ga0  1  0.65  0.0  0.0  1.0

data_MgV2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   116.63
_cell_angle_beta   93.24
_cell_angle_gamma   93.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Ga
_chemical_formula_sum   'Mg1 V2 Ga1'
_cell_volume   60.26
_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  0.32  0.18  0.15  1.0
  V  V2  1  0.32  0.18  0.85  1.0
  Ga  Ga3  1  0.0  0.65  0.0  1.0

Mg V V Ga