data_[Er4Sb1Te1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2618]
_cell_length_b [4.1888]
_cell_length_c [7.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4SbTeAs2]
_chemical_formula_sum '[Er4 Sb1 Te1 As2]'
_cell_volume [211.2256]
_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  2  0.2466  0.5000  0.2286  1.0
  Er  Er1  2  0.2631  0.0000  0.7755  1.0
  Sb  Sb2  1  0.5000  0.0000  0.5000  1.0
  Te  Te3  1  0.0000  0.5000  0.5000  1.0
  As  As4  1  0.0000  0.0000  0.0000  1.0
  As  As5  1  0.5000  0.5000  0.0000  1.0
]