data_[Er12Si2Te6P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  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 [7.1325]
_cell_length_b [12.3398]
_cell_length_c [7.3974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SiTe3P2]
_chemical_formula_sum '[Er12 Si2 Te6 P4]'
_cell_volume [616.7437]
_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  8  0.2378  0.1673  0.2123  1.0
  Er  Er1  4  0.2356  0.5000  0.2115  1.0
  Si  Si2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0000  0.1662  0.5000  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.0000  0.3334  0.0000  1.0
]