data_[Ca4Tl5Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0664]
_cell_length_b [3.7292]
_cell_length_c [10.2352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca4Tl5Ag2]
_chemical_formula_sum '[Ca4 Tl5 Ag2]'
_cell_volume [306.9617]
_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
[
  Ca  Ca0  2  0.1810  0.5000  0.8721  1
  Ca  Ca1  2  0.2518  0.5000  0.4329  1
  Tl  Tl2  2  0.1690  0.0000  0.1524  1
  Tl  Tl3  2  0.4411  0.0000  0.6850  1
  Tl  Tl4  1  0.5000  0.0000  0.0000  1
  Ag  Ag5  2  0.0672  0.0000  0.6317  1
]