data_[Be2Tl4Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.5865]
_cell_length_b [5.3306]
_cell_length_c [8.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [BeTl2Cr]
_chemical_formula_sum '[Be2 Tl4 Cr2]'
_cell_volume [164.7169]
_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
[
  Be  Be0  2  0.0000  0.5000  0.0000  1
  Tl  Tl1  4  0.0000  0.0000  0.2740  1
  Cr  Cr2  2  0.0000  0.5000  0.5000  1
]