data_[Mg2Tl4As4Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6895]
_cell_length_b [5.6625]
_cell_length_c [14.4824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgTl2As2Pd7]
_chemical_formula_sum '[Mg2 Tl4 As4 Pd14]'
_cell_volume [463.4844]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1045  0.0000  0.3990  1.0
  As  As2  4  0.0723  0.5000  0.2396  1.0
  Pd  Pd3  8  0.2077  0.2504  0.8600  1.0
  Pd  Pd4  4  0.1019  0.5000  0.4126  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]