data_[Sr1Ca1Be2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [4.5473]
_cell_length_b [4.5473]
_cell_length_c [7.5390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [SrCa(BeH4)2]
_chemical_formula_sum '[Sr1 Ca1 Be2 H8]'
_cell_volume [135.0040]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Be  Be2  2  0.3333  0.6667  0.2387  1.0
  H  H3  6  0.0400  0.6809  0.2916  1.0
  H  H4  2  0.3333  0.6667  0.0481  1.0
]