# generated using pymatgen
data_CaEr(NiAs)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00200731
_cell_length_b   4.00200731
_cell_length_c   15.95894835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr(NiAs)2
_chemical_formula_sum   'Ca2 Er2 Ni4 As4'
_cell_volume   221.35563612
_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  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Er  Er2  1  0.00000000  0.00000000  0.25000000  1.0
  Er  Er3  1  0.00000000  0.00000000  0.75000000  1.0
  Ni  Ni4  1  0.33333300  0.66666700  0.13759471  1.0
  Ni  Ni5  1  0.66666700  0.33333300  0.86240529  1.0
  Ni  Ni6  1  0.66666700  0.33333300  0.63759471  1.0
  Ni  Ni7  1  0.33333300  0.66666700  0.36240529  1.0
  As  As8  1  0.33333300  0.66666700  0.62670064  1.0
  As  As9  1  0.66666700  0.33333300  0.37329936  1.0
  As  As10  1  0.66666700  0.33333300  0.12670064  1.0
  As  As11  1  0.33333300  0.66666700  0.87329936  1.0