data_MgZrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrSn2
_chemical_formula_sum   'Mg1 Zr1 Sn2'
_cell_volume   92.21
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.33  0.0  0.0  1.0
  Sn  Sn1  1  0.66  0.14  0.62  1.0
  Sn  Sn2  1  0.66  0.86  0.62  1.0

data_MgZrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   104.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrSn2
_chemical_formula_sum   'Mg1 Zr1 Sn2'
_cell_volume   92.21
_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  0.0  0.0  0.0  1.0
  Zr  Zr1  1  -0.0  0.33  0.0  1.0
  Sn  Sn2  1  0.62  0.66  0.14  1.0
  Sn  Sn3  1  0.62  0.66  0.86  1.0

Mg Zr Sn Sn