data_MnGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.7
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   95.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaSb2
_chemical_formula_sum   'Mn1 Ga1 Sb2'
_cell_volume   89.18
_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
  Ga  Ga0  1  0.65  0.0  0.96  1.0
  Sb  Sb2  1  0.5  0.85  0.65  1.0
  Sb  Sb3  1  0.84  0.85  0.27  1.0

data_MnGaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.7
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   95.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaSb2
_chemical_formula_sum   'Mn1 Ga1 Sb2'
_cell_volume   89.18
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.65  0.0  0.96  1.0
  Sb  Sb2  1  0.5  0.85  0.65  1.0
  Sb  Sb3  1  0.84  0.85  0.27  1.0

Mn Ga Sb Sb
Mn Ga Sb Sb 0 1 - o - 0 2 o - - 0 2 - - - 0 3 - - o 1 2 o - o 1 3 o - + 2 2 + o o 2 3 o o o 