data_[Gd8Zr2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6641]
_cell_length_b [8.7123]
_cell_length_c [5.2343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd4ZrP2]
_chemical_formula_sum '[Gd8 Zr2 P4]'
_cell_volume [349.4672]
_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
[
  Gd  Gd0  8  0.1422  0.3163  0.2483  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.1918  0.5000  0.7569  1
]