data_[Er12Te6As2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3596]
_cell_length_b [4.1048]
_cell_length_c [8.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Te3AsP2]
_chemical_formula_sum '[Er12 Te6 As2 P4]'
_cell_volume [613.2736]
_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  0.0117  0.0000  0.2367  1.0
  Er  Er1  4  0.1621  0.5000  0.1116  1.0
  Er  Er2  4  0.1768  0.5000  0.5616  1.0
  Te  Te3  4  0.1647  0.0000  0.8332  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  As  As5  2  0.0000  0.5000  0.0000  1.0
  P  P6  4  0.1672  0.0000  0.3349  1.0
]