[CIF]
data_Mg2ZrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08612661
_cell_length_b   5.76935794
_cell_length_c   5.14206220
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.89764480
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrCl
_chemical_formula_sum   'Mg2 Zr1 Cl1'
_cell_volume   91.34250021
_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
  Cl  Cl0  1  0.00000000  0.00000000  0.00000000  1
  Mg  Mg1  1  1.97209979  2.88467897  3.81913533  1
  Mg  Mg2  1  0.76449885  2.88467897  1.31103367  1
  Zr  Zr3  1  -0.17476399  0.00000000  2.56508450  1
[/CIF]
