data_YCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   133.45
_cell_angle_beta   108.13
_cell_angle_gamma   90.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoAs2
_chemical_formula_sum   'Y1 Co1 As2'
_cell_volume   75.45
_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
  Y  Y3  1  0.0  0.0  0.44  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.92  0.0  0.34  1.0
  As  As1  1  0.0  0.85  0.1  1.0

data_YCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   71.87
_cell_angle_beta   66.72
_cell_angle_gamma   66.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCoAs2
_chemical_formula_sum   'Y1 Co1 As2'
_cell_volume   75.45
_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
  Y  Y0  1  0.44  0.0  0.56  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.1  0.0  0.76  1.0
  As  As3  1  0.42  0.92  0.66  1.0

Y Co As As
Y Co As As 0 2 - o o 0 3 o - o 1 3 o - o 2 3 + - o 