data_[Er4Tl5Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1343]
_cell_length_b [3.5996]
_cell_length_c [9.6370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Tl5Ga2]
_chemical_formula_sum '[Er4 Tl5 Ga2]'
_cell_volume [281.9946]
_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
[
  Er  Er0  2  0.2052  0.5000  0.8536  1.0
  Er  Er1  2  0.2283  0.5000  0.4074  1.0
  Tl  Tl2  2  0.1401  0.0000  0.1322  1.0
  Tl  Tl3  2  0.4520  0.0000  0.6608  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Ga  Ga5  2  0.0828  0.0000  0.6215  1.0
]