data_[Er3Cu12P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9943]
_cell_length_b [3.9943]
_cell_length_c [21.7080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er(Cu2P)2]
_chemical_formula_sum '[Er3 Cu12 P6]'
_cell_volume [299.9314]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  6  0.0000  0.0000  0.1471  1.0
  Cu  Cu2  6  0.0000  0.0000  0.4290  1.0
  P  P3  6  0.0000  0.0000  0.2551  1.0
]