data_[Ca1Si1H1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1549]
_cell_length_b [4.4970]
_cell_length_c [5.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaSiHSe2]
_chemical_formula_sum '[Ca1 Si1 H1 Se2]'
_cell_volume [101.4150]
_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  0.0579  0.5000  0.4935  1
  Si  Si1  1  0.5553  0.0000  0.9710  1
  H  H2  1  0.1881  0.0000  0.7981  1
  Se  Se3  1  0.5127  0.0000  0.3682  1
  Se  Se4  1  0.7496  0.5000  0.9226  1
]