data_FeCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.57
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2As
_chemical_formula_sum   'Fe1 Co2 As1'
_cell_volume   48.89
_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
  Fe  Fe3  1  0.0  0.0  0.33  1.0
  Co  Co1  1  0.0  0.0  0.82  1.0
  Co  Co2  1  0.4  0.78  0.32  1.0
  As  As0  1  0.4  0.78  0.78  1.0

data_FeCo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.57
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2As
_chemical_formula_sum   'Fe1 Co2 As1'
_cell_volume   48.89
_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
  Fe  Fe0  1  0.0  0.0  0.33  1.0
  Co  Co1  1  0.0  0.0  0.82  1.0
  Co  Co2  1  0.4  0.78  0.32  1.0
  As  As3  1  0.4  0.78  0.78  1.0

Fe Co Co As
Fe Co Co As 0 2 o - o 1 3 o - o 