data_YMo2As
_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   125.95
_cell_angle_beta   125.95
_cell_angle_gamma   79.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMo2As
_chemical_formula_sum   'Y1 Mo2 As1'
_cell_volume   72.42
_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  0.21  0.86  1.0
  Mo  Mo1  1  0.21  0.0  0.86  1.0
  Mo  Mo2  1  0.0  0.0  0.72  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_YMo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.86
_cell_angle_alpha   117.02
_cell_angle_beta   117.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMo2As
_chemical_formula_sum   'Y1 Mo2 As1'
_cell_volume   72.42
_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  0.35  0.21  0.35  1.0
  Mo  Mo1  1  0.14  0.0  0.35  1.0
  Mo  Mo2  1  0.28  0.0  0.28  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Y Mo Mo As