data_[Ca1H2Se1F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8148]
_cell_length_b [4.9399]
_cell_length_c [4.1253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaH2SeF]
_chemical_formula_sum '[Ca1 H2 Se1 F1]'
_cell_volume [71.7251]
_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  0.2709  0.0000  0.4744  1
  H  H1  1  0.3012  0.5000  0.0522  1
  H  H2  1  0.5184  0.5000  0.2378  1
  Se  Se3  1  0.9082  0.5000  0.6477  1
  F  F4  1  0.5814  0.0000  0.0917  1
]