data_[Er12Sb6Te2P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3680]
_cell_length_b [4.2012]
_cell_length_c [8.4917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Sb3TeP2]
_chemical_formula_sum '[Er12 Sb6 Te2 P4]'
_cell_volume [637.5781]
_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  4  0.0116  0.0000  0.2624  1.0
  Er  Er1  4  0.1733  0.5000  0.5703  1.0
  Er  Er2  4  0.1733  0.5000  0.1067  1.0
  Sb  Sb3  4  0.1606  0.0000  0.8323  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  P  P6  4  0.1691  0.0000  0.3357  1.0
]