data_MnNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   137.51
_cell_angle_beta   137.51
_cell_angle_gamma   61.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiSn2
_chemical_formula_sum   'Mn1 Ni1 Sn2'
_cell_volume   70.81
_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
  Ni  Ni1  1  0.95  0.0  0.32  1.0
  Sn  Sn2  1  0.0  0.0  0.63  1.0
  Sn  Sn3  1  0.0  0.95  0.32  1.0

data_MnNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.39
_cell_angle_alpha   111.25
_cell_angle_beta   111.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiSn2
_chemical_formula_sum   'Mn1 Ni1 Sn2'
_cell_volume   70.81
_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
  Ni  Ni1  1  0.68  0.0  0.64  1.0
  Sn  Sn2  1  0.37  0.0  0.37  1.0
  Sn  Sn3  1  0.64  0.95  0.64  1.0

Mn Ni Sn Sn
Mn Ni Sn Sn 0 1 - o o 0 3 o - o 0 2 o o - 1 3 + - o 1 2 + o o 2 3 o - o 