data_MgZrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   5.38
_cell_length_c   5.37
_cell_angle_alpha   90.0
_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   92.16
_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  0.99  1.0
  Zr  Zr3  1  0.0  0.69  0.02  1.0
  Sn  Sn1  1  0.59  0.69  0.39  1.0
  Sn  Sn2  1  0.59  0.0  0.66  1.0

data_MgZrSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.37
_cell_length_c   5.38
_cell_angle_alpha   90.0
_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   92.16
_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  0.01  0.0  1.0
  Zr  Zr1  1  0.0  0.98  0.31  1.0
  Sn  Sn2  1  0.41  0.34  0.0  1.0
  Sn  Sn3  1  0.41  0.61  0.31  1.0

Mg Zr Sn Sn