data_[Er2Mn2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3331]
_cell_length_b [3.9137]
_cell_length_c [7.8868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErMnSe3]
_chemical_formula_sum '[Er2 Mn2 Se6]'
_cell_volume [225.6165]
_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
[
  Er  Er0  2  0.3752  0.2500  0.2142  1.0
  Mn  Mn1  2  0.1527  0.7500  0.6622  1.0
  Se  Se2  2  0.0962  0.7500  0.3369  1.0
  Se  Se3  2  0.2815  0.7500  0.9617  1.0
  Se  Se4  2  0.3770  0.2500  0.5971  1.0
]