data_Mn2VGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.7
_cell_angle_alpha   95.06
_cell_angle_beta   95.06
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VGa
_chemical_formula_sum   'Mn2 V1 Ga1'
_cell_volume   50.71
_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
  Mn  Mn1  1  0.74  0.0  0.51  1.0
  Mn  Mn2  1  0.27  0.0  0.17  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.34  1.0

data_Mn2VGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.41
_cell_length_c   4.7
_cell_angle_alpha   95.06
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VGa
_chemical_formula_sum   'Mn2 V1 Ga1'
_cell_volume   50.71
_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
  Mn  Mn0  1  0.0  0.26  0.49  1.0
  Mn  Mn1  1  0.0  0.73  0.83  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  1.0  0.66  1.0

Mn Mn V Ga
Mn Mn V Ga 0 3 + o o 1 2 o o o 1 3 o o o 2 3 o o o 