data_Mn2VHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   128.79
_cell_angle_beta   128.79
_cell_angle_gamma   75.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VHg
_chemical_formula_sum   'Mn2 V1 Hg1'
_cell_volume   60.63
_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  0.02  0.85  1.0
  Mn  Mn2  1  0.02  0.0  0.85  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.7  1.0

data_Mn2VHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   127.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2VHg
_chemical_formula_sum   'Mn4 V2 Hg2'
_cell_volume   121.26
_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  4  0.16  0.01  0.17  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.3  0.0  0.3  1.0

Mn Mn V Hg