data_[Er4P4Pt4]
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 [C2/m]
_cell_length_a [9.9010]
_cell_length_b [4.1754]
_cell_length_c [5.8640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErPPt]
_chemical_formula_sum '[Er4 P4 Pt4]'
_cell_volume [236.4612]
_cell_formula_units_Z [4]
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  4  0.1163  0.0000  0.7702  1
  P  P1  4  0.1806  0.0000  0.2555  1
  Pt  Pt2  4  0.1116  0.5000  0.3896  1
]