data_[La4Pm4Zr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8099]
_cell_length_b [25.2108]
_cell_length_c [3.9713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaPmZr]
_chemical_formula_sum '[La4 Pm4 Zr4]'
_cell_volume [381.4415]
_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
[
  La  La0  4  0.0000  0.4445  0.7500  1
  Pm  Pm1  4  0.0000  0.1481  0.7500  1
  Zr  Zr2  4  0.0000  0.2753  0.7500  1
]