data_[Er1Sc2Pa1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8628]
_cell_length_b [4.0024]
_cell_length_c [6.9174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErSc2PaAs4]
_chemical_formula_sum '[Er1 Sc2 Pa1 As4]'
_cell_volume [178.9659]
_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
  Sc  Sc1  1  0.5000  0.0000  0.5000  1
  Sc  Sc2  1  0.5000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.5000  0.5000  1
  As  As4  2  0.2616  0.5000  0.2552  1
  As  As5  2  0.2638  0.0000  0.7552  1
]