data_[Ca4La4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4248]
_cell_length_b [5.5165]
_cell_length_c [7.1473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaLaTl]
_chemical_formula_sum '[Ca4 La4 Tl4]'
_cell_volume [402.9906]
_cell_formula_units_Z [4]
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  0.2522  0.0000  0.3122  1
  Ca  Ca1  2  0.4788  0.5000  0.3659  1
  La  La2  2  0.1238  0.5000  0.8401  1
  La  La3  2  0.3571  0.0000  0.9066  1
  Tl  Tl4  2  0.1526  0.5000  0.4105  1
  Tl  Tl5  2  0.4597  0.5000  0.8129  1
]