data_[Er1Tm1Mn2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9083]
_cell_length_b [3.9083]
_cell_length_c [6.9323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ErTm(MnSi)2]
_chemical_formula_sum '[Er1 Tm1 Mn2 Si2]'
_cell_volume [105.8902]
_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  0.5000  0.5000  0.3330  1
  Tm  Tm1  1  0.0000  0.0000  0.6687  1
  Mn  Mn2  2  0.0000  0.5000  0.9995  1
  Si  Si3  1  0.0000  0.0000  0.2100  1
  Si  Si4  1  0.5000  0.5000  0.7893  1
]