data_MnVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVSb2
_chemical_formula_sum   'Mn1 V1 Sb2'
_cell_volume   78.54
_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  0.15  0.0  0.48  1.0
  V  V3  1  0.0  0.0  0.68  1.0
  Sb  Sb1  1  0.0  0.0  0.73  1.0
  Sb  Sb2  1  0.15  0.0  0.59  1.0

data_MnVSb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnVSb2
_chemical_formula_sum   'Mn1 V1 Sb2'
_cell_volume   78.57
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.15  0.0  0.48  1.0
  V  V1  1  0.0  0.0  0.68  1.0
  Sb  Sb2  1  0.0  0.0  0.73  1.0
  Sb  Sb3  1  0.15  0.0  0.59  1.0

Mn V Sb Sb
Mn V Sb Sb 0 3 o o o 1 2 o o o 1 3 o o o 