data_Mg2ZrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrTi
_chemical_formula_sum   'Mg2 Zr1 Ti1'
_cell_volume   83.53
_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  0.74  0.0  0.83  1.0
  Mg  Mg1  1  0.74  0.0  0.45  1.0
  Zr  Zr3  1  0.0  0.0  0.14  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0

data_Mg2ZrTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrTi
_chemical_formula_sum   'Mg2 Zr1 Ti1'
_cell_volume   83.53
_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  0.74  0.0  0.45  1.0
  Mg  Mg1  1  0.74  0.0  0.83  1.0
  Zr  Zr2  1  0.0  0.0  0.14  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

Mg Mg Zr Ti