# generated using pymatgen
data_CaHf2ScAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87527902
_cell_length_b   3.87527867
_cell_length_c   13.30182463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2ScAs4
_chemical_formula_sum   'Ca1 Hf2 Sc1 As4'
_cell_volume   173.00062648
_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  0.66666700  0.33333300  0.87829903  1.0
  Hf  Hf1  1  0.66666700  0.33333300  0.61221526  1.0
  Hf  Hf2  1  0.33333300  0.66666700  0.13145240  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.38003802  1.0
  As  As4  1  0.66666700  0.33333300  0.25387718  1.0
  As  As5  1  0.33333300  0.66666700  0.72917639  1.0
  As  As6  1  0.00000000  0.00000000  0.49552049  1.0
  As  As7  1  0.00000000  0.00000000  0.01942023  1.0