data_MnVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   132.56
_cell_angle_beta   132.56
_cell_angle_gamma   69.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVPt2
_chemical_formula_sum   'Mn1 V1 Pt2'
_cell_volume   57.37
_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  0.91  0.0  0.96  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.91  1.0
  Pt  Pt2  1  0.0  0.91  0.96  1.0

data_MnVPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.76
_cell_angle_alpha   113.72
_cell_angle_beta   113.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVPt2
_chemical_formula_sum   'Mn1 V1 Pt2'
_cell_volume   57.37
_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  0.96  0.04  0.04  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.04  0.96  0.04  1.0
  Pt  Pt3  1  0.91  0.91  0.91  1.0

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