data_[Er8Cu10P14]
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 [I-42m]
_cell_length_a [5.2591]
_cell_length_b [5.2591]
_cell_length_c [19.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Er4Cu5P7]
_chemical_formula_sum '[Er8 Cu10 P14]'
_cell_volume [528.4388]
_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  0.2401  0.2401  0.3847  1.0
  Cu  Cu1  4  0.0000  0.0000  0.2503  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2500  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  P  P4  8  0.2453  0.2453  0.1701  1.0
  P  P5  4  0.0000  0.5000  0.0000  1.0
  P  P6  2  0.0000  0.0000  0.5000  1.0
]