data_[Pm4Er4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9304]
_cell_length_b [3.3249]
_cell_length_c [11.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmErZr]
_chemical_formula_sum '[Pm4 Er4 Zr4]'
_cell_volume [356.4679]
_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
[
  Pm  Pm0  4  0.1735  0.0000  0.5883  1
  Er  Er1  4  0.0067  0.0000  0.2185  1
  Zr  Zr2  4  0.1630  0.5000  0.0626  1
]