data_[Er1Tm1Np2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8418]
_cell_length_b [3.9545]
_cell_length_c [6.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErTm(NpP2)2]
_chemical_formula_sum '[Er1 Tm1 Np2 P4]'
_cell_volume [174.7092]
_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
[
  Er  Er0  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  1  0.0000  0.5000  0.5000  1
  Np  Np2  1  0.5000  0.0000  0.5000  1
  Np  Np3  1  0.5000  0.5000  0.0000  1
  P  P4  2  0.2527  0.0000  0.7502  1
  P  P5  2  0.2532  0.5000  0.2517  1
]