data_[Ca6Mg2]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.1002]
_cell_length_b [7.2989]
_cell_length_c [6.5301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca3Mg]
_chemical_formula_sum '[Ca6 Mg2]'
_cell_volume [290.7544]
_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
[
  Ca  Ca0  4  0.0000  0.2493  0.8301  1.0
  Ca  Ca1  2  0.0000  0.5000  0.3469  1.0
  Mg  Mg2  2  0.0000  0.0000  0.3175  1.0
]