data_[Ca1Mg1Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4973]
_cell_length_b [3.8860]
_cell_length_c [6.7935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaMgCl4]
_chemical_formula_sum '[Ca1 Mg1 Cl4]'
_cell_volume [171.4525]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.5000  1.0
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.2105  0.5000  0.8576  1.0
  Cl  Cl3  2  0.2173  0.0000  0.3149  1.0
]