data_BiMoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.75
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoAs2
_chemical_formula_sum   'Bi1 Mo1 As2'
_cell_volume   87.2
_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
  Bi  Bi2  1  0.39  0.0  0.44  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.82  0.37  0.83  1.0
  As  As1  1  0.96  0.37  0.06  1.0

data_BiMoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.75
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMoAs2
_chemical_formula_sum   'Bi1 Mo1 As2'
_cell_volume   87.2
_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
  Bi  Bi0  1  0.39  0.0  0.44  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.82  0.37  0.83  1.0
  As  As3  1  0.96  0.37  0.06  1.0

Bi Mo As As
Bi Mo As As 0 1 o o o 0 3 - o o 0 2 o o o 1 2 - o - 1 3 - o o 2 3 o o + 