data_MnNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   128.94
_cell_angle_beta   128.94
_cell_angle_gamma   75.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Ga
_chemical_formula_sum   'Mn1 Nb2 Ga1'
_cell_volume   62.39
_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  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.04  0.0  0.88  1.0
  Nb  Nb3  1  0.0  0.04  0.88  1.0
  Ga  Ga0  1  0.0  0.0  0.75  1.0

data_MnNb2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   127.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnNb2Ga
_chemical_formula_sum   'Mn2 Nb4 Ga2'
_cell_volume   124.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.48  0.48  0.84  1.0
  Ga  Ga2  2  0.0  0.0  0.75  1.0

Mn Nb Nb Ga