data_[Er1Cu3P2]
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 [Pm]
_cell_length_a [3.9410]
_cell_length_b [3.9187]
_cell_length_c [19.6706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ErCu3P2]
_chemical_formula_sum '[Er1 Cu3 P2]'
_cell_volume [303.7846]
_cell_formula_units_Z [1]
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  1  0.1165  0.0000  0.5235  1
  Cu  Cu1  1  0.1219  0.5000  0.6320  1
  Cu  Cu2  1  0.4254  0.0000  0.3946  1
  Cu  Cu3  1  0.6493  0.5000  0.4629  1
  P  P4  1  0.1420  0.5000  0.4051  1
  P  P5  1  0.6216  0.5000  0.5819  1
]