# generated using pymatgen
data_Ca2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56231270
_cell_length_b   4.56231252
_cell_length_c   8.53744470
_cell_angle_alpha   105.50404597
_cell_angle_beta   105.50405067
_cell_angle_gamma   90.01324675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2As
_chemical_formula_sum   'Ca4 As2'
_cell_volume   164.51441450
_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  0.00000000  -0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.50000000  -0.00000000  1.0
  Ca  Ca2  1  0.32081307  0.32081307  0.64163632  1.0
  Ca  Ca3  1  0.67918693  0.67918693  0.35836368  1.0
  As  As4  1  0.13431404  0.13431404  0.26857900  1.0
  As  As5  1  0.86568596  0.86568596  0.73142100  1.0