# generated using pymatgen
data_CaFe4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74461200
_cell_length_b   11.34674300
_cell_length_c   11.90226300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe4As3
_chemical_formula_sum   'Ca4 Fe16 As12'
_cell_volume   505.71703793
_cell_formula_units_Z   4
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  0.25000000  0.06662900  0.83294800  1.0
  Ca  Ca1  1  0.75000000  0.93337100  0.16705200  1.0
  Ca  Ca2  1  0.75000000  0.56662900  0.66705200  1.0
  Ca  Ca3  1  0.25000000  0.43337100  0.33294800  1.0
  Fe  Fe4  1  0.25000000  0.77520300  0.81074300  1.0
  Fe  Fe5  1  0.75000000  0.22479700  0.18925700  1.0
  Fe  Fe6  1  0.75000000  0.27520300  0.68925700  1.0
  Fe  Fe7  1  0.25000000  0.72479700  0.31074300  1.0
  Fe  Fe8  1  0.25000000  0.37134400  0.80688300  1.0
  Fe  Fe9  1  0.75000000  0.62865600  0.19311700  1.0
  Fe  Fe10  1  0.75000000  0.87134400  0.69311700  1.0
  Fe  Fe11  1  0.25000000  0.12865600  0.30688300  1.0
  Fe  Fe12  1  0.25000000  0.31670300  0.01390400  1.0
  Fe  Fe13  1  0.75000000  0.68329700  0.98609600  1.0
  Fe  Fe14  1  0.75000000  0.81670300  0.48609600  1.0
  Fe  Fe15  1  0.25000000  0.18329700  0.51390400  1.0
  Fe  Fe16  1  0.25000000  0.53899200  0.06808700  1.0
  Fe  Fe17  1  0.75000000  0.46100800  0.93191300  1.0
  Fe  Fe18  1  0.75000000  0.03899200  0.43191300  1.0
  Fe  Fe19  1  0.25000000  0.96100800  0.56808700  1.0
  As  As20  1  0.25000000  0.57538600  0.87342200  1.0
  As  As21  1  0.75000000  0.42461400  0.12657800  1.0
  As  As22  1  0.75000000  0.07538600  0.62657800  1.0
  As  As23  1  0.25000000  0.92461400  0.37342200  1.0
  As  As24  1  0.25000000  0.75999300  0.61162100  1.0
  As  As25  1  0.75000000  0.24000700  0.38837900  1.0
  As  As26  1  0.75000000  0.25999300  0.88837900  1.0
  As  As27  1  0.25000000  0.74000700  0.11162000  1.0
  As  As28  1  0.25000000  0.37339600  0.60284500  1.0
  As  As29  1  0.75000000  0.62660400  0.39715500  1.0
  As  As30  1  0.75000000  0.87339600  0.89715500  1.0
  As  As31  1  0.25000000  0.12660400  0.10284500  1.0