data_[Mg2Ta2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6537]
_cell_length_b [3.2117]
_cell_length_c [5.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgTaSb2]
_chemical_formula_sum '[Mg2 Ta2 Sb4]'
_cell_volume [174.8392]
_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
[
  Mg  Mg0  2  0.2379  0.0000  0.7947  1
  Ta  Ta1  2  0.0109  0.5000  0.4515  1
  Sb  Sb2  2  0.2699  0.5000  0.3209  1
  Sb  Sb3  2  0.4813  0.5000  0.9328  1
]