data_[Sr2Ca2Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3905]
_cell_length_b [3.8293]
_cell_length_c [6.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCaMg2]
_chemical_formula_sum '[Sr2 Ca2 Mg4]'
_cell_volume [290.0351]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  4  0.2480  0.5000  0.7093  1
]