data_MgNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.46
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiSn2
_chemical_formula_sum   'Mg1 Ni1 Sn2'
_cell_volume   84.89
_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
  Mg  Mg0  1  0.86  0.0  0.66  1.0
  Ni  Ni1  1  0.92  0.23  0.79  1.0
  Sn  Sn2  1  0.8  0.0  0.89  1.0
  Sn  Sn3  1  0.59  0.23  0.31  1.0

data_MgNiSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.46
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiSn2
_chemical_formula_sum   'Mg1 Ni1 Sn2'
_cell_volume   84.89
_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
  Mg  Mg0  1  0.86  0.0  0.66  1.0
  Ni  Ni1  1  0.92  0.23  0.79  1.0
  Sn  Sn2  1  0.59  0.23  0.31  1.0
  Sn  Sn3  1  0.8  0.0  0.89  1.0

Mg Ni Sn Sn