# generated using pymatgen
data_CaYb2ReH7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09135577
_cell_length_b   5.09135718
_cell_length_c   12.12915139
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb2ReH7
_chemical_formula_sum   'Ca2 Yb4 Re2 H14'
_cell_volume   272.28769653
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.25000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.75000000  1.0
  Yb  Yb2  1  0.33333300  0.66666700  0.43729831  1.0
  Yb  Yb3  1  0.66666700  0.33333300  0.56270169  1.0
  Yb  Yb4  1  0.66666700  0.33333300  0.93729831  1.0
  Yb  Yb5  1  0.33333300  0.66666700  0.06270169  1.0
  Re  Re6  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re7  1  0.00000000  0.00000000  0.00000000  1.0
  H  H8  1  0.16199106  0.83800894  0.91211147  1.0
  H  H9  1  0.16199106  0.32398111  0.91211147  1.0
  H  H10  1  0.67601889  0.83800894  0.91211147  1.0
  H  H11  1  0.83800894  0.16199106  0.08788853  1.0
  H  H12  1  0.83800894  0.67601889  0.08788853  1.0
  H  H13  1  0.32398111  0.16199106  0.08788853  1.0
  H  H14  1  0.83800894  0.16199106  0.41211147  1.0
  H  H15  1  0.83800894  0.67601889  0.41211147  1.0
  H  H16  1  0.32398111  0.16199106  0.41211147  1.0
  H  H17  1  0.16199106  0.83800894  0.58788853  1.0
  H  H18  1  0.16199106  0.32398111  0.58788853  1.0
  H  H19  1  0.67601889  0.83800894  0.58788853  1.0
  H  H20  1  0.33333300  0.66666700  0.25000000  1.0
  H  H21  1  0.66666700  0.33333300  0.75000000  1.0