# generated using pymatgen
data_CaNd4Ga3H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06186787
_cell_length_b   9.06186752
_cell_length_c   9.06186913
_cell_angle_alpha   127.85130969
_cell_angle_beta   127.85130702
_cell_angle_gamma   76.86602537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd4Ga3H
_chemical_formula_sum   'Ca2 Nd8 Ga6 H2'
_cell_volume   450.45553804
_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  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd2  1  0.51904659  0.01904659  0.83870915  1.0
  Nd  Nd3  1  0.18033644  0.68033644  0.16129085  1.0
  Nd  Nd4  1  0.01904659  0.18033644  0.50000000  1.0
  Nd  Nd5  1  0.68033644  0.51904659  0.50000000  1.0
  Nd  Nd6  1  0.48095341  0.98095341  0.16129085  1.0
  Nd  Nd7  1  0.81966356  0.31966356  0.83870915  1.0
  Nd  Nd8  1  0.98095341  0.81966356  0.50000000  1.0
  Nd  Nd9  1  0.31966356  0.48095341  0.50000000  1.0
  Ga  Ga10  1  0.25000000  0.25000000  0.00000000  1.0
  Ga  Ga11  1  0.75000000  0.75000000  0.00000000  1.0
  Ga  Ga12  1  0.88469380  0.38469380  0.26938961  1.0
  Ga  Ga13  1  0.11530620  0.61530620  0.73061039  1.0
  Ga  Ga14  1  0.38469380  0.11530620  0.50000000  1.0
  Ga  Ga15  1  0.61530620  0.88469380  0.50000000  1.0
  H  H16  1  0.25000000  0.75000000  0.50000000  1.0
  H  H17  1  0.75000000  0.25000000  0.50000000  1.0