data_[Mg1Tl2Cu2O4]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5671]
_cell_length_b [5.5947]
_cell_length_c [5.8988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgTl2(CuO2)2]
_chemical_formula_sum '[Mg1 Tl2 Cu2 O4]'
_cell_volume [178.5142]
_cell_formula_units_Z [1]
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  1  0.0757  0.0000  0.0482  1
  Tl  Tl1  1  0.1133  0.5000  0.3448  1
  Tl  Tl2  1  0.5973  0.0000  0.5989  1
  Cu  Cu3  1  0.5664  0.5000  0.0514  1
  Cu  Cu4  1  0.5812  0.0000  0.0906  1
  O  O5  2  0.3479  0.2438  0.1182  1
  O  O6  2  0.7998  0.2404  0.0232  1
]