data_[Er2P4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2970]
_cell_length_b [4.2970]
_cell_length_c [9.3227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Er(PPt)2]
_chemical_formula_sum '[Er2 P4 Pt4]'
_cell_volume [172.1387]
_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  2  0.0000  0.5000  0.7547  1
  P  P1  2  0.0000  0.0000  0.0000  1
  P  P2  2  0.0000  0.5000  0.3690  1
  Pt  Pt3  2  0.0000  0.0000  0.5000  1
  Pt  Pt4  2  0.0000  0.5000  0.1186  1
]