data_[Y2Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0718]
_cell_length_b [3.7052]
_cell_length_c [18.8045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YMgCl4]
_chemical_formula_sum '[Y2 Mg2 Cl8]'
_cell_volume [910.7683]
_cell_formula_units_Z [2]
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
[
  Y  Y0  2  0.1091  0.7500  0.5013  1
  Mg  Mg1  2  0.3787  0.2500  0.4999  1
  Cl  Cl2  2  0.0464  0.2500  0.6012  1
  Cl  Cl3  2  0.2189  0.2500  0.4231  1
  Cl  Cl4  2  0.2981  0.7500  0.5728  1
  Cl  Cl5  2  0.4597  0.7500  0.4272  1
]