data_[Er2Tm4Sc6Cu2S4]
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
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7505]
_cell_length_b [13.0314]
_cell_length_c [7.5337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ErTm2Sc3CuS2]
_chemical_formula_sum '[Er2 Tm4 Sc6 Cu2 S4]'
_cell_volume [368.2092]
_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  0.0000  0.0000  0.4084  1
  Tm  Tm1  4  0.0000  0.2037  0.7963  1
  Sc  Sc2  4  0.5000  0.1260  0.1257  1
  Sc  Sc3  2  0.5000  0.0000  0.7483  1
  Cu  Cu4  2  0.0000  0.0000  0.9989  1
  S  S5  4  0.5000  0.1669  0.5001  1
]