data_[Sc1Ge1N1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.9123]
_cell_length_b [3.0652]
_cell_length_c [7.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScGeNF]
_chemical_formula_sum '[Sc1 Ge1 N1 F1]'
_cell_volume [64.3980]
_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
[
  Sc  Sc0  1  0.6557  0.0000  0.2934  1
  Ge  Ge1  1  0.2333  0.5000  0.6573  1
  N  N2  1  0.1776  0.5000  0.3948  1
  F  F3  1  0.1115  0.0000  0.0868  1
]