data_[Sr2Er1Tm1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2244]
_cell_length_b [4.1787]
_cell_length_c [7.4175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2ErTmSe4]
_chemical_formula_sum '[Sr2 Er1 Tm1 Se4]'
_cell_volume [211.7061]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.5000  1.0
  Sr  Sr1  1  0.5000  0.0000  0.5000  1.0
  Er  Er2  1  0.5000  0.5000  0.0000  1.0
  Tm  Tm3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2412  0.5000  0.2260  1.0
  Se  Se5  2  0.2567  0.0000  0.7734  1.0
]