data_[Ca24Tl10H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1372]
_cell_length_b [9.5642]
_cell_length_c [9.2630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca12Tl5H2]
_chemical_formula_sum '[Ca24 Tl10 H4]'
_cell_volume [1246.0610]
_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  8  0.1396  0.2929  0.0496  1
  Ca  Ca1  8  0.1513  0.2603  0.5858  1
  Ca  Ca2  4  0.0026  0.5000  0.7203  1
  Ca  Ca3  4  0.0585  0.0000  0.2104  1
  Tl  Tl4  4  0.2135  0.5000  0.3757  1
  Tl  Tl5  4  0.2360  0.5000  0.8564  1
  Tl  Tl6  2  0.0000  0.0000  0.5000  1
  H  H7  4  0.0000  0.1564  0.0000  1
]