data_[Er2Mn1Tl1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5880]
_cell_length_b [5.5905]
_cell_length_c [5.8862]
_cell_angle_alpha [62.4159]
_cell_angle_beta [63.6797]
_cell_angle_gamma [61.5593]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er2MnTlO6]
_chemical_formula_sum '[Er2 Mn1 Tl1 O6]'
_cell_volume [137.3283]
_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  1  0.4829  0.4863  0.5519  1.0
  Er  Er1  1  0.9796  0.9725  0.0829  1.0
  Mn  Mn2  1  0.1784  0.1855  0.4552  1.0
  Tl  Tl3  1  0.7001  0.7043  0.9061  1.0
  O  O4  1  0.0992  0.8193  0.7191  1.0
  O  O5  1  0.2649  0.5430  0.2693  1.0
  O  O6  1  0.3621  0.0975  0.7281  1.0
  O  O7  1  0.5788  0.8841  0.2336  1.0
  O  O8  1  0.7811  0.3752  0.7654  1.0
  O  O9  1  0.9114  0.2707  0.2732  1.0
]