data_YCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   43.35
_cell_angle_beta   43.35
_cell_angle_gamma   43.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCo2As
_chemical_formula_sum   'Y1 Co2 As1'
_cell_volume   67.38
_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  0.4  1.0
  Co  Co1  1  0.0  0.0  0.48  1.0
  Co  Co2  1  0.0  0.0  0.42  1.0
  As  As0  1  0.0  0.0  0.38  1.0

data_YCo2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   3.99
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   115.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YCo2As
_chemical_formula_sum   'Y2 Co4 As2'
_cell_volume   134.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.4  1.0
  Co  Co1  2  0.0  0.0  0.42  1.0
  Co  Co2  2  0.0  0.0  0.48  1.0
  As  As3  2  0.0  0.0  0.38  1.0

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