data_[Er2Mn1Cr1O6]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3336]
_cell_length_b [5.4625]
_cell_length_c [5.4820]
_cell_angle_alpha [61.6147]
_cell_angle_beta [89.9851]
_cell_angle_gamma [61.6035]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Er2MnCrO6]
_chemical_formula_sum '[Er2 Mn1 Cr1 O6]'
_cell_volume [118.2277]
_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  0.0334  0.9288  0.1015  1.0
  Er  Er1  1  0.5376  0.9236  0.6050  1.0
  Mn  Mn2  1  0.8115  0.3747  0.4435  1.0
  Cr  Cr3  1  0.3159  0.3696  0.9490  1.0
  O  O4  1  0.0941  0.4438  0.2365  1.0
  O  O5  1  0.1872  0.8414  0.7434  1.0
  O  O6  1  0.4494  0.8866  0.2188  1.0
  O  O7  1  0.5977  0.2302  0.7273  1.0
  O  O8  1  0.6794  0.2308  0.2332  1.0
  O  O9  1  0.9553  0.4474  0.7266  1.0
]