data_[Ce2Er1Hf1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8500]
_cell_length_b [3.9498]
_cell_length_c [6.8502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce2ErHfP4]
_chemical_formula_sum '[Ce2 Er1 Hf1 P4]'
_cell_volume [174.8393]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1.0
  Ce  Ce1  1  0.5000  0.0000  0.5000  1.0
  Er  Er2  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf3  1  0.0000  0.0000  0.0000  1.0
  P  P4  2  0.2351  0.5000  0.2306  1.0
  P  P5  2  0.2455  0.0000  0.7639  1.0
]