data_[Tb2Pm1Zr1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8744]
_cell_length_b [3.9702]
_cell_length_c [6.8867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb2PmZrP4]
_chemical_formula_sum '[Tb2 Pm1 Zr1 P4]'
_cell_volume [177.4445]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.5000  0.0000  0.5000  1
  Tb  Tb1  1  0.5000  0.5000  0.0000  1
  Pm  Pm2  1  0.0000  0.5000  0.5000  1
  Zr  Zr3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2402  0.5000  0.2360  1
  P  P5  2  0.2476  0.0000  0.7610  1
]