data_MnV2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   129.3
_cell_angle_beta   129.3
_cell_angle_gamma   74.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ag
_chemical_formula_sum   'Mn1 V2 Ag1'
_cell_volume   54.67
_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
  V  V2  1  0.94  0.0  0.81  1.0
  V  V3  1  0.0  0.94  0.81  1.0
  Ag  Ag0  1  0.0  0.0  0.61  1.0

data_MnV2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   127.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnV2Ag
_chemical_formula_sum   'Mn2 V4 Ag2'
_cell_volume   109.34
_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
  V  V1  4  0.16  0.03  0.14  1.0
  Ag  Ag2  2  0.39  0.0  0.39  1.0

Mn V V Ag
Mn V V Ag 0 1 - o - 0 2 o - - 1 2 + - o 1 3 + o o 2 3 o + o 