data_[Pm6In2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.7222]
_cell_length_b [7.0542]
_cell_length_c [9.1096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pm3InAs]
_chemical_formula_sum '[Pm6 In2 As2]'
_cell_volume [303.4510]
_cell_formula_units_Z [2]
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  0.0000  0.2446  0.3285  1
  Pm  Pm1  2  0.0000  0.0000  0.9296  1
  In  In2  2  0.0000  0.5000  0.8497  1
  As  As3  2  0.0000  0.0000  0.6015  1
]