data_[Ca1Ge1H1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7245]
_cell_length_b [3.7602]
_cell_length_c [6.4556]
_cell_angle_alpha [81.1736]
_cell_angle_beta [75.4719]
_cell_angle_gamma [68.7002]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaGeHSe]
_chemical_formula_sum '[Ca1 Ge1 H1 Se1]'
_cell_volume [81.3465]
_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
[
  Ca  Ca0  1  0.4153  0.7066  0.9131  1
  Ge  Ge1  1  0.4781  0.1640  0.3156  1
  H  H2  1  0.0326  0.3328  0.9978  1
  Se  Se3  1  0.8633  0.1282  0.5923  1
]