data_[Ca2Mg2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7692]
_cell_length_b [4.2289]
_cell_length_c [6.3827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMgSb2]
_chemical_formula_sum '[Ca2 Mg2 Sb4]'
_cell_volume [226.0049]
_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  2  0.0000  0.5000  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  4  0.2434  0.5000  0.7169  1
]